Crystallography Open Database

Information card for entry 7234971

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Coordinates	7234971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H13 B F2 N2 O
Calculated formula	C20 H13 B F2 N2 O
Title of publication	Aggregation-induced emission enhancement (AIEE)-active boron-difluoride dyes with reversible mechanochromic fluorescence
Authors of publication	Yan, Xiaojing; Zhu, Pengcheng; Zhou, Zhiguo; Yang, Hong; Lan, Haichuang; Xiao, Shuzhang
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	61
Pages of publication	35872
a	7.7955 ± 0.0004 Å
b	23.1127 ± 0.001 Å
c	9.1369 ± 0.0004 Å
α	90°
β	107.358 ± 0.001°
γ	90°
Cell volume	1571.27 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.01 K
Number of distinct elements	6
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	0.0477
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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