Crystallography Open Database

Information card for entry 7235043

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Coordinates	7235043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62.5 H49 Cl N2
Calculated formula	C62.5 H49 Cl N2
Title of publication	Aggregation-enhanced emission and through-space conjugation of tetraarylethanes and folded tetraarylethenes
Authors of publication	Yingying Zhang; Bairong He; Wenwen Luo; Huiren Peng; Shuming Chen; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	9316 - 9324
a	12.797 ± 0.004 Å
b	13.085 ± 0.005 Å
c	27.664 ± 0.009 Å
α	90°
β	92.323 ± 0.012°
γ	90°
Cell volume	4628 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.1364
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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