Crystallography Open Database

Information card for entry 7221714

Preview

Coordinates	7221714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 O2
Calculated formula	C24 H18 O2
SMILES	c1(cc2ccc3c(cc(o3)c3ccc(cc3)C)c2o1)c1ccc(cc1)C
Title of publication	A concise route to functionalized benzofurans directly from gem-dibromoalkenes and phenols
Authors of publication	Rao, Maddali L. N.; Dasgupta, Priyabrata
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	80
Pages of publication	65462
a	18.012 ± 0.002 Å
b	6.5373 ± 0.0008 Å
c	14.3077 ± 0.0019 Å
α	90°
β	98.302 ± 0.004°
γ	90°
Cell volume	1667.1 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1541
Residual factor for significantly intense reflections	0.0978
Weighted residual factors for significantly intense reflections	0.2589
Weighted residual factors for all reflections included in the refinement	0.3025
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
206958 (current)	2018-03-15	Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1	7221714.cif
176428	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	7221714.cif
152685	2015-08-01	cif/ Adding structures of 7221714 via cif-deposit CGI script.	7221714.cif