Crystallography Open Database

Information card for entry 1543025

Preview

Coordinates	1543025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 O4
Calculated formula	C19 H16 O4
SMILES	O1[C@@H]2[C@@H]3[C@@H]4[C@@]5([C@@H]([C@H]2O[C@H]3C2C(=CC(=O)C=C(C=C5)C4=2)C)C)C1=O
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	13.4613 ± 0.0005 Å
b	9.1617 ± 0.0004 Å
c	23.4678 ± 0.0009 Å
α	90°
β	93.249 ± 0.002°
γ	90°
Cell volume	2889.6 ± 0.2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	1543025.cif
181488	2016-04-05	cif/ Adding structures of 1543025 via cif-deposit CGI script.	1543025.cif