Crystallography Open Database

Information card for entry 7216051

Preview

Coordinates	7216051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18
Calculated formula	C24 H18
SMILES	c1(cc(cc(c1)c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Single crystal structure analysis via magnetically oriented microcrystal arrays
Authors of publication	Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	29
Pages of publication	6630
a	7.5958 ± 0.0002 Å
b	19.748 ± 0.0014 Å
c	11.251 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1687.67 ± 0.14 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	2
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.3082
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180491 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/60.	7216051.cif
119421	2014-07-07	cif/ Updating files of 7216049, 7216050, 7216051 Original log message: Adding full bibliography for 7216049--7216051.cif.	7216051.cif
114135	2014-05-22	cif/ Adding structures of 7216049, 7216050, 7216051 via cif-deposit CGI script.	7216051.cif