Crystallography Open Database

Information card for entry 1554202

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Coordinates	1554202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H30 N2 O8
Calculated formula	C38 H30 N2 O8
Title of publication	A strategy for the molecular design of aggregation-induced emission units further modified by substituents
Authors of publication	Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping
Journal of publication	Materials Chemistry Frontiers
Year of publication	2018
Journal volume	2
Journal issue	6
Pages of publication	1175
a	11.1457 ± 0.0011 Å
b	11.6511 ± 0.0012 Å
c	13.2828 ± 0.0014 Å
α	82.622 ± 0.003°
β	83.818 ± 0.003°
γ	80.79 ± 0.003°
Cell volume	1681.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1357
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1979
Weighted residual factors for all reflections included in the refinement	0.2422
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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