Crystallography Open Database

Information card for entry 1501845

Preview

Coordinates	1501845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 O4
Calculated formula	C30 H46 O4
SMILES	C1CC(=O)C([C@@H]2CC=C3[C@@H]([C@@]12C)CC[C@@]1([C@@]3(CC[C@H]1[C@H]1CO[C@](C1)(C(=O)C(C)C)O)C)C)(C)C
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	7.5 ± 0.007 Å
b	17.596 ± 0.016 Å
c	10.344 ± 0.009 Å
α	90°
β	98.773 ± 0.009°
γ	90°
Cell volume	1349 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	1501845.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501845.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501845.cif
35198	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501845 via cif-deposit CGI script.	1501845.cif