Crystallography Open Database

Information card for entry 1543021

Preview

Coordinates	1543021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 O5
Calculated formula	C19 H18 O5
SMILES	O1[C@H]2[C@@H]3OC(=O)[C@@]4([C@@H]2C)CCc2c5[C@]4(O)[C@@H]3[C@@H]1c5c(cc(=O)c2)C
Title of publication	Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.
Authors of publication	Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	8
Pages of publication	1880 - 1883
a	8.2087 ± 0.0001 Å
b	8.2087 ± 0.0001 Å
c	44.2189 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2979.59 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
182530 (current)	2016-05-04	cif/ Updating files of 1543021, 1543022, 1543023, 1543024, 1543025 Original log message: Adding full bibliography for 1543021--1543025.cif.	1543021.cif
181484	2016-04-05	cif/ Adding structures of 1543021 via cif-deposit CGI script.	1543021.cif