Crystallography Open Database

Information card for entry 1501846

Preview

Coordinates	1501846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H52 O4
Calculated formula	C32 H52 O4
SMILES	C1C[C@H](C([C@@H]2CC=C3[C@@H]([C@@]12C)CC[C@@]1([C@@]3(CC[C@H]1[C@H]1CO[C@](C1)([C@H]1C(C)(C)O1)OCC)C)C)(C)C)O
Title of publication	Tirucallane-type triterpenoids from Dysoxylum lenticellatum.
Authors of publication	Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan
Journal of publication	Journal of natural products
Year of publication	2011
Journal volume	74
Journal issue	10
Pages of publication	2235 - 2242
a	7.541 ± 0.008 Å
b	10.852 ± 0.011 Å
c	36.43 ± 0.04 Å
α	90°
β	90°
γ	90°
Cell volume	2981 ± 5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
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	0.1295
Residual factor for significantly intense reflections	0.0833
Weighted residual factors for significantly intense reflections	0.2153
Weighted residual factors for all reflections included in the refinement	0.2472
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	1501846.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501846.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501846.cif
35199	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501846 via cif-deposit CGI script.	1501846.cif