Crystallography Open Database

Information card for entry 1506589

Preview

Coordinates	1506589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H54 O3
Calculated formula	C31 H52 O3
Title of publication	Compound representatives of a new type of triterpenoid from Aglaia odorata.
Authors of publication	Cai, Xiang-Hai; Luo, Xiao-Dong; Zhou, Jun; Hao, Xiao-Jiang
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	14
Pages of publication	2877 - 2879
a	13.118 ± 0.003 Å
b	31.435 ± 0.008 Å
c	7.245 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2987.6 ± 1.1 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	3
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1609
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	0.94
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506589.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506589.cif
50427	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506589 via cif-deposit CGI script.	1506589.cif