Crystallography Open Database

Information card for entry 7218939

Preview

Structure parameters

Formula	C34 H22
Calculated formula	C34 H22
SMILES	C1(c2ccccc2c2ccccc12)=C(c1cccc2ccccc12)c1cccc2ccccc12
Title of publication	Efficient Green-Red Piezofluorochromism of Bisanthracene-Modified Dibenzofulvene
Authors of publication	Zhang, Guo-Feng; Aldred, Matthew; Chen, Ze-Qiang; Chen, Tao; Meng, Xiang-Gao; Zhu, Ming-Qiang
Journal of publication	RSC Adv.
Year of publication	2014
a	12.5099 ± 0.0018 Å
b	13.0134 ± 0.0019 Å
c	14.188 ± 0.002 Å
α	90°
β	99.235 ± 0.002°
γ	90°
Cell volume	2279.8 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.132
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7218939.cif
180520	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 7/21/89.	7218939.cif
127972	2014-11-28	cif/ Adding structures of 7218938, 7218939 via cif-deposit CGI script.	7218939.cif