Crystallography Open Database

Information card for entry 7058199

Preview

Coordinates	7058199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10.5 H8 Cl O
Calculated formula	C10.5 H8 Cl O
Title of publication	SiCl4 mediated one-pot synthesis of novel spirobibenzopyrans as potent anticancer agents
Authors of publication	Kar, Swayamsiddha; Shivalingegowda, Naveen; Krishnappagowda, Lokanath Neratur; Golakoti, Nageswara Rao
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	12
Pages of publication	4669
a	11.1071 ± 0.0006 Å
b	8.2385 ± 0.0004 Å
c	19.1755 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1754.67 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.1888
Weighted residual factors for all reflections included in the refinement	0.2022
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
225000 (current)	2019-11-08	cif/ Updating files of 7058199, 7058200 Original log message: Adding full bibliography for 7058199--7058200.cif.	7058199.cif
213741	2019-02-21	cif/ Adding structures of 7058199, 7058200 via cif-deposit CGI script.	7058199.cif