Crystallography Open Database

Information card for entry 1504183

Preview

Coordinates	1504183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H24 N2 O3
Calculated formula	C19 H24 N2 O3
SMILES	N12C(=O)[C@H]3N(CCC[C@]3(C[C@H]2O)CC)CCC(=O)c2ccccc12
Title of publication	Melohenines A and B, two unprecedented alkaloids from Melodinus henryi
Authors of publication	Feng, Tao; Cai, Xiang-Hai; Li, Yan; Wang, Yuan-Yuan; Liu, Ya-Ping; Xie, Ming-Jin; Luo, Xiao-Dong
Journal of publication	Organic Letters
Year of publication	2009
Journal volume	11
Journal issue	21
Pages of publication	4834 - 4837
a	7.9717 ± 0.0012 Å
b	12.2181 ± 0.0018 Å
c	17.265 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1681.6 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.09
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1529
Goodness-of-fit parameter for all reflections included in the refinement	0.75
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
218689 (current)	2019-09-22	cif/1/ Updated bibliographic information in entries 1504182-1504183, 1504183	1504183.cif
176729	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.	1504183.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504183.cif
39474	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504183 via cif-deposit CGI script.	1504183.cif