Crystallography Open Database

Information card for entry 1543023

Preview

Coordinates	1543023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 O5
Calculated formula	C20 H24 O5
SMILES	O1[C@H]2C=C([C@H]3C[C@H]4[C@H]5[C@]3(O)[C@](C2)(C1=O)CC[C@]15[C@@H](C[C@@H]4OC1=O)C)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	6.8416 ± 0.0003 Å
b	7.8031 ± 0.0003 Å
c	30.6323 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1635.33 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0455
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1543023.cif
181486	2016-04-05	cif/ Adding structures of 1543023 via cif-deposit CGI script.	1543023.cif