Crystallography Open Database

Information card for entry 7212961

Preview

Coordinates	7212961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H48 O4
Calculated formula	C28 H48 O4
Title of publication	Conformational studies of two new brassinosteroid analogues with a 22,23-trans diol function
Authors of publication	Drosihn, Susanne; Porzel, Andrea; Voigt, Brunhilde; Brandt, Wolfgang; Wagner, Christoph; Merzweiler, Kurt; Adam, Günter
Journal of publication	Journal of the Chemical Society, Perkin Transactions 2
Year of publication	1999
Journal issue	2
Pages of publication	233
a	7.8955 ± 0.0017 Å
b	11.486 ± 0.002 Å
c	28.835 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2615 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180460 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/29.	7212961.cif
95020	2014-01-28	cif/ Adding structures of 7212961 via cif-deposit CGI script.	7212961.cif