Crystallography Open Database

Information card for entry 1568575

Preview

Coordinates	1568575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H30 O3
Calculated formula	C23 H30 O3
SMILES	O(C)c1ccc(OC)c2[C@@]34[C@@]([C@H](C)CC=C3C(C)(C(=O)CC4)C)(C)Cc12
Title of publication	Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.
Authors of publication	Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	12
Pages of publication	3302 - 3310
a	9.484 ± 0.0003 Å
b	13.8807 ± 0.0003 Å
c	14.0827 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1853.91 ± 0.08 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 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	0.0397
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
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
283190 (current)	2023-05-05	cif/ Updating files of 1568571, 1568572, 1568573, 1568574, 1568575 Original log message: Adding full bibliography for 1568571--1568575.cif.	1568575.cif
281289	2023-03-04	cif/ Adding structures of 1568571, 1568572, 1568573, 1568574, 1568575 via cif-deposit CGI script.	1568575.cif