Crystallography Open Database

Information card for entry 1504792

Preview

Coordinates	1504792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 Br O4
Calculated formula	C26 H27 Br O4
SMILES	Brc1ccc(C(=O)O[C@@H]2[C@]3(CC=C4[C@@]5(O[C@@]6(CCCC(=O)C6=C4)CC5)[C@@H]3CC2)C)cc1
Title of publication	A concise synthesis of the pentacyclic framework of cortistatins.
Authors of publication	Yamashita, Shuji; Iso, Kentaro; Hirama, Masahiro
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	16
Pages of publication	3413 - 3415
a	21.235 ± 0.017 Å
b	8.271 ± 0.007 Å
c	13.904 ± 0.011 Å
α	90°
β	92.777 ± 0.011°
γ	90°
Cell volume	2439 ± 3 Å³
Cell temperature	173.1 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.1967
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1504792.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504792.cif
42367	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504792 via cif-deposit CGI script.	1504792.cif