Crystallography Open Database

Information card for entry 7224438

Preview

Coordinates	7224438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 Cl2 O7
Calculated formula	C24 H28 Cl2 O7
SMILES	Clc1c(O)c(c(OC)c(Cl)c1C)[C@@H]1[C@H](Cc2c1c(c(O)cc2O)C=O)C(O)(C)C.O=C(C)C.Clc1c(O)c(c(OC)c(Cl)c1C)[C@H]1[C@@H](Cc2c1c(c(O)cc2O)C=O)C(O)(C)C.O=C(C)C
Title of publication	Isolation, resolution and biological evaluation of pestalachlorides E and F containing both point and axial chirality
Authors of publication	Xing, Qian; Gan, Li-She; Mou, Xiao-Feng; Wang, Wei; Wang, Chang-Yun; Wei, Mei-Yan; Shao, Chang-Lun
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	27
Pages of publication	22653
a	19.1983 ± 0.0008 Å
b	10.9513 ± 0.0004 Å
c	22.9245 ± 0.0009 Å
α	90°
β	96.2213 ± 0.0016°
γ	90°
Cell volume	4791.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1662
Weighted residual factors for all reflections included in the refinement	0.1723
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
177089 (current)	2016-03-01	cif/ Adding structures of 7224438 via cif-deposit CGI script.	7224438.cif