Crystallography Open Database

Information card for entry 4103590

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Structure parameters

Formula	C21 H24 O6
Calculated formula	C21 H24 O6
SMILES	[C@]1(C(=O)[C@]23[C@]45CC=CC([C@H]4O[C@@]2(C[C@H]1C=C3)C(=O)OC5)(C)C)(C)OC(=O)C.[C@@]1(C(=O)[C@@]23[C@@]45CC=CC([C@@H]4O[C@]2(C[C@@H]1C=C3)C(=O)OC5)(C)C)(C)OC(=O)C
Title of publication	Total Synthesis of (\±) Maoecrystal V
Authors of publication	Jianxian Gong; Guang Lin; Wenbo Sun; Chuang-Chuang Li; Zhen Yang
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	16745 - 16746
a	10.922 ± 0.002 Å
b	15.497 ± 0.003 Å
c	21.965 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3717.8 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0966
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	0.779
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
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4103590.cif
178781	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/35.	4103590.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103590.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103590.cif
26580	2011-09-22	../uploads/cif-deposit/cod/cif Adding structures of 4103590 via cif-deposit CGI script.	4103590.cif