Crystallography Open Database

Information card for entry 7223822

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Coordinates	7223822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Cl3 O5
Calculated formula	C18 H15 Cl3 O5
Title of publication	3,5,7-Trimethoxyphenanthrene-1,4-dione: A new biologically relevant natural phenanthrenequinone derivative from Dioscorea prazeri and studies on its single X-ray crystallographic behavior, molecular docking and other physico-chemical properties
Authors of publication	Brahmachari, Goutam; Das, Satipada; Biswas, Maya; Kumar, Abhishek; Srivastava, Ambrish Kumar; Misra, Neeraj
Journal of publication	RSC Adv.
Year of publication	2016
a	7.0645 ± 0.0003 Å
b	8.5088 ± 0.0004 Å
c	16.3254 ± 0.0007 Å
α	98.908 ± 0.002°
β	96.316 ± 0.002°
γ	103.939 ± 0.002°
Cell volume	929.77 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1599
Weighted residual factors for all reflections included in the refinement	0.1847
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
173730 (current)	2016-01-09	cif/ Adding structures of 7223822 via cif-deposit CGI script.	7223822.cif