Structure of 17α-methyl-testosterone semihydrate, C20H30O2·1/2 H2O

Zdzisław Gałdecki; Paweł Grochulski; Zdzisław Wawrzak

doi:10.1007/BF01185393

Structure of 17α-methyl-testosterone semihydrate, C₂₀H₃₀O₂·1/2 H₂O

Zdzisław Gałdecki^*, Paweł Grochulski, Zdzisław Wawrzak

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Abstract

The crystal structure of 17 α-methyltestosterone hemihydrate, C₂₀H₃₀O₂·1/2H₂O, has been determined:M_r=312.5, space group P2₁2₁2₁2₁, a=6.374(2), b=12.807(2), c=43.398(5)Å, V_c=3543(2)Å³, Z=8, D_x=1.172 mg^-3, Cu Kα radiation ( {Mathematical expression} = 1.54184 Å), μ(Cu Kα)=5.5 cm^-1, F(000)=1376. The structure was solved using Multan. The final conventional R=0.053 (R_w=0.052) for 3634 reflections. The structure contains two crystallographically independent molecules in the asymmetric part of the unit cell that have almost identical geometry.

Original language	English (US)
Pages (from-to)	577-587
Number of pages	11
Journal	Journal of Crystallographic and Spectroscopic Research
Volume	19
Issue number	3
DOIs	https://doi.org/10.1007/BF01185393
State	Published - Jun 1 1989

ASJC Scopus subject areas

Structural Biology
Condensed Matter Physics
Spectroscopy

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title = "Structure of 17α-methyl-testosterone semihydrate, C20H30O2·1/2 H2O",

abstract = "The crystal structure of 17 α-methyltestosterone hemihydrate, C20H30O2·1/2H2O, has been determined:Mr=312.5, space group P21212121, a=6.374(2), b=12.807(2), c=43.398(5){\AA}, Vc=3543(2){\AA}3, Z=8, Dx=1.172 mg-3, Cu Kα radiation ( {Mathematical expression} = 1.54184 {\AA}), μ(Cu Kα)=5.5 cm-1, F(000)=1376. The structure was solved using Multan. The final conventional R=0.053 (Rw=0.052) for 3634 reflections. The structure contains two crystallographically independent molecules in the asymmetric part of the unit cell that have almost identical geometry.",

author = "Zdzis{\l}aw Ga{\l}decki and Pawe{\l} Grochulski and Zdzis{\l}aw Wawrzak",

year = "1989",

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doi = "10.1007/BF01185393",

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T1 - Structure of 17α-methyl-testosterone semihydrate, C20H30O2·1/2 H2O

AU - Gałdecki, Zdzisław

AU - Grochulski, Paweł

AU - Wawrzak, Zdzisław

PY - 1989/6/1

Y1 - 1989/6/1

N2 - The crystal structure of 17 α-methyltestosterone hemihydrate, C20H30O2·1/2H2O, has been determined:Mr=312.5, space group P21212121, a=6.374(2), b=12.807(2), c=43.398(5)Å, Vc=3543(2)Å3, Z=8, Dx=1.172 mg-3, Cu Kα radiation ( {Mathematical expression} = 1.54184 Å), μ(Cu Kα)=5.5 cm-1, F(000)=1376. The structure was solved using Multan. The final conventional R=0.053 (Rw=0.052) for 3634 reflections. The structure contains two crystallographically independent molecules in the asymmetric part of the unit cell that have almost identical geometry.

AB - The crystal structure of 17 α-methyltestosterone hemihydrate, C20H30O2·1/2H2O, has been determined:Mr=312.5, space group P21212121, a=6.374(2), b=12.807(2), c=43.398(5)Å, Vc=3543(2)Å3, Z=8, Dx=1.172 mg-3, Cu Kα radiation ( {Mathematical expression} = 1.54184 Å), μ(Cu Kα)=5.5 cm-1, F(000)=1376. The structure was solved using Multan. The final conventional R=0.053 (Rw=0.052) for 3634 reflections. The structure contains two crystallographically independent molecules in the asymmetric part of the unit cell that have almost identical geometry.

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Structure of 17α-methyl-testosterone semihydrate, C₂₀H₃₀O₂·1/2 H₂O

Abstract

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