Crystallography Open Database

Information card for entry 2219446

2219445 << 2219446 >> 2219447

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Structure parameters

Chemical name	3α-azido-5-cholestene
Formula	C27 H45 N3
Calculated formula	C27 H45 N3
Title of publication	3α-Azido-5-cholestene
Authors of publication	Houston, Todd A.; Quader, Sabina; Boyd, Sue E.; Jenkins, Ian D.; Healy, Peter C.
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	9
Pages of publication	o1738
a	13.3763 ± 0.0003 Å
b	6.2288 ± 0.0001 Å
c	15.0495 ± 0.0004 Å
α	90°
β	94.205 ± 0.002°
γ	90°
Cell volume	1250.52 ± 0.05 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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