Crystallography Open Database

Information card for entry 4102238

Preview

Coordinates	4102238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45.5 H59 Br2 O6
Calculated formula	C45.5 H59 Br2 O6
Title of publication	Biomimetic Syntheses from Squalene-Like Precursors: Synthesis of ent-Abudinol B and Reassessment of the Structure of Muzitone
Authors of publication	Matthew A. Boone; Rongbiao Tong; Frank E. McDonald; Sheri Lense; Rui Cao; Kenneth I. Hardcastle
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	5300 - 5308
a	8.879 ± 0.0004 Å
b	20.7162 ± 0.0007 Å
c	24.1069 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4434.2 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
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	0.065
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1567
Weighted residual factors for all reflections included in the refinement	0.1651
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4102238.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102238.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102238.cif
25096	2011-09-09	../uploads/cif-deposit/cod/cif Adding structures of 4102238 via cif-deposit CGI script.	4102238.cif