Crystallography Open Database

Information card for entry 4030289

Preview

Coordinates	4030289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H44.5 O3
Calculated formula	C27 H44.5 O3
Title of publication	Synthesis and Biological Activity of Two C-7 Methyl Analogues of Vitamin D.
Authors of publication	Sokolowska, Katarzyna; Carballa, Diego; Seoane, Samuel; Pérez-Fernández, Román; Mouriño, Antonio; Sicinski, Rafal R.
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	80
Journal issue	1
Pages of publication	165
a	7.2241 ± 0.0014 Å
b	30.833 ± 0.009 Å
c	32.125 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	7156 ± 3 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	3
Space group number	23
Hermann-Mauguin space group symbol	I 2 2 2
Hall space group symbol	I 2 2
Residual factor for all reflections	0.2499
Residual factor for significantly intense reflections	0.1058
Weighted residual factors for significantly intense reflections	0.2433
Weighted residual factors for all reflections included in the refinement	0.3113
Goodness-of-fit parameter for all reflections included in the refinement	0.872
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4030289.cif
130704	2015-02-04	cif/ Updating files of 4030289 Original log message: Adding full bibliography for 4030289.cif.	4030289.cif
128319	2014-12-06	cif/ Adding structures of 4030289 via cif-deposit CGI script.	4030289.cif