Crystallography Open Database

Information card for entry 1504459

Preview

Coordinates	1504459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H35 N O5
Calculated formula	C23 H35 N O5
SMILES	N12[C@@H]3[C@@](O)(CC[C@@]4([C@H](C1)CCC1=C5[C@]34C[C@@H]([C@@H]5CC1)C(=O)OC)CO)[C@H](C2)C.O
Title of publication	Daphniphyllum and diterpenoid alkaloids from Daphniphyllum longeracemosum.
Authors of publication	Li, Chun-Shun; Di, Ying-Tong; Mu, Shu-Zhen; He, Hong-Ping; Zhang, Qiang; Fang, Xin; Zhang, Yu; Li, Shun-Lin; Lu, Yang; Gong, Yan-Qing; Hao, Xiao-Jiang
Journal of publication	Journal of natural products
Year of publication	2008
Journal volume	71
Journal issue	7
Pages of publication	1202 - 1206
a	8.799 ± 0.002 Å
b	14.981 ± 0.003 Å
c	15.655 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2063.6 ± 0.7 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
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	0.0399
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	1504459.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504459.cif
42078	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504459 via cif-deposit CGI script.	1504459.cif