Crystallography Open Database

Information card for entry 4026191

Preview

Coordinates	4026191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H37 Br O3 Si
Calculated formula	C25 H37 Br O3 Si
SMILES	Br[C@H]1C(=O)C=C2C=C3CC[C@]4([C@H]([C@]53CC[C@]2(C1)O5)CC[C@@H]4O[Si](C)(C)C(C)(C)C)C
Title of publication	Formal Synthesis of Cortistatins
Authors of publication	Lichao Fang; Yuan Chen; Jun Huang; Lianzhu Liu; Junmin Quan; Chuang-chuang Li; Zhen Yang
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	2479 - 2487
a	10.342 ± 0.002 Å
b	6.7854 ± 0.0014 Å
c	18.153 ± 0.004 Å
α	90°
β	97.52 ± 0.03°
γ	90°
Cell volume	1262.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1221
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	0.918
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
178440 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/61.	4026191.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026191.cif
38541	2012-03-05	../uploads/cif-deposit/cod/cif Adding structures of 4026191 via cif-deposit CGI script.	4026191.cif