Crystallography Open Database

Information card for entry 1568571

Preview

Coordinates	1568571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H33 O3.5
Calculated formula	C23 H33 O3.5
SMILES	O(c1c2C[C@]3(C)[C@]4(CC[C@@H](O)C(=C)[C@]4(C)CC[C@H]3C)c2c(OC)cc1)C.O(c1c2C[C@@]3(C)[C@@]4(CC[C@H](O)C(=C)[C@@]4(C)CC[C@@H]3C)c2c(OC)cc1)C.O
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	36.4809 ± 0.0003 Å
b	14.42217 ± 0.00012 Å
c	7.54283 ± 0.00007 Å
α	90°
β	90°
γ	90°
Cell volume	3968.54 ± 0.06 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	1568571.cif
281289	2023-03-04	cif/ Adding structures of 1568571, 1568572, 1568573, 1568574, 1568575 via cif-deposit CGI script.	1568571.cif