Crystallography Open Database

Information card for entry 7234182

Preview

Coordinates	7234182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H92 N2 O4
Calculated formula	C68 H92 N2 O4
SMILES	CCCCCCCCCCCCCCCCn1c2ccccc2c2cc(ccc12)c1cc(c(cc1C(=O)OCC)c1cc2c(cc1)n(c1c2cccc1)CCCCCCCCCCCCCCCC)C(=O)OCC
Title of publication	Strong solid emission and mechanofluorochromism of carbazole-based terephthalate derivatives adjusted by alkyl chains
Authors of publication	Pengchong Xue; Jiabao Sun; Peng Chen; Peng Gong; Boqi Yao; Zhenqi Zhang; Chong Qian; Ran Lu
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	4086 - 4092
a	8.2621 ± 0.0017 Å
b	8.9309 ± 0.0018 Å
c	21.084 ± 0.004 Å
α	81.69 ± 0.03°
β	85.17 ± 0.03°
γ	82.15 ± 0.03°
Cell volume	1521.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1278
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1381
Weighted residual factors for all reflections included in the refinement	0.1698
Goodness-of-fit parameter for all reflections included in the refinement	0.964
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
218869 (current)	2019-09-26	cif/ Adding structures of 7234182, 7234183, 7234184 via cif-deposit CGI script.	7234182.cif