Crystallography Open Database

Information card for entry 7055455

Preview

Coordinates	7055455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H O
Calculated formula	C1.84293 H1.34031 O0.335079
SMILES	c12ccccc1ccc1c2C2(c3c(cccc3C=C(C2=O)CO)O1)OC
Title of publication	Studies on apoptosis in HeLa cells via the ROS-mediated mitochondrial pathway induced by new dibenzoxanthenes
Authors of publication	Wang, Xiu-Zhen; Yang, Hui-Hui; Li, Wei; Han, Bing-Jie; Liu, Yun-Jun
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	6
Pages of publication	5255
a	7.615 ± 0.011 Å
b	23.48 ± 0.03 Å
c	36.26 ± 0.05 Å
α	90°
β	90°
γ	90°
Cell volume	6483 ± 15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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