Crystallography Open Database

Information card for entry 7160218

Preview

Coordinates	7160218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H42 O5
Calculated formula	C29 H42 O5
Title of publication	Highly oxygenated steroids with immunosuppressive activity from <i>Solanum undatum</i>.
Authors of publication	Chen, Shu-Shuai; Zheng, Cheng-Yu; Yang, Guan-Zhou; Zhou, Jun-Su; He, Shi-Jun; Fan, Yao-Yue; Yue, Jian-Min
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	23
Journal issue	1
Pages of publication	83 - 89
a	9.6163 ± 0.0003 Å
b	7.9028 ± 0.0002 Å
c	17.3878 ± 0.0005 Å
α	90°
β	103.888 ± 0.001°
γ	90°
Cell volume	1282.77 ± 0.06 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.0314
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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