Crystallography Open Database

Information card for entry 1501798

Preview

Coordinates	1501798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 N O5
Calculated formula	C18.75 H22.25 N O5
SMILES	COc1ccc2c(c1O)[C@]13CCN([C@@](C1)(O)C(=O)C=C3C=C2)C.CO
Title of publication	Cepharatines A-D, hasubanan-type alkaloids from Stephania cepharantha.
Authors of publication	He, Li; Zhang, Yuan-Hu; Guan, Huan-Yu; Zhang, Jian-Xin; Sun, Qian-Yun; Hao, Xiao-Jiang
Journal of publication	Journal of natural products
Year of publication	2011
Journal volume	74
Journal issue	2
Pages of publication	181 - 184
a	11.916 ± 0.002 Å
b	6.673 ± 0.0013 Å
c	21.319 ± 0.004 Å
α	90°
β	90.46 ± 0.03°
γ	90°
Cell volume	1695.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.161
Weighted residual factors for all reflections included in the refinement	0.1684
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1501798.cif
129586	2015-01-13	cif/1 Fixing Z values and formulae for several entries	1501798.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501798.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501798.cif
35152	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501798 via cif-deposit CGI script.	1501798.cif