Crystallography Open Database

Information card for entry 7222258

Preview

Coordinates	7222258.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2n
Formula	C18 H15 Br O2
Calculated formula	C18 H15 Br O2
SMILES	Brc1cc(C(c2c3ccccc3ccc2O)OC)ccc1
Title of publication	A direct approach for the expedient synthesis of unsymmetrical ethers by employing bromodimethylsulfonium bromide (BDMS) mediated C‒S bond cleavage of naphthalene-2-ol sulfides
Authors of publication	Islam, Kobirul; Sidick Basha, R.; Dar, Ajaz A.; Das, Deb K.; Khan, Abu T.
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	97
Pages of publication	79759
a	13.1085 ± 0.0006 Å
b	7.3865 ± 0.0004 Å
c	16.4008 ± 0.0007 Å
α	90°
β	107.548 ± 0.003°
γ	90°
Cell volume	1514.12 ± 0.13 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1849
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.117
Goodness-of-fit parameter for all reflections included in the refinement	0.949
Diffraction radiation probe	x-ray
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222258.cif
158211	2015-09-22	cif/ Adding structures of 7222257, 7222258 via cif-deposit CGI script.	7222258.cif