Crystallography Open Database

Information card for entry 7238536

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Coordinates	7238536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 B F2 O4
Calculated formula	C21 H19 B F2 O4
Title of publication	A mechanistic investigation of mechanochromic luminescent organoboron materials
Authors of publication	Sun, Xingxing; Zhang, Xuepeng; Li, Xinyang; Liu, Shiyong; Zhang, Guoqing
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	33
Pages of publication	17332
a	26.2572 ± 0.0017 Å
b	7.2012 ± 0.0003 Å
c	10.3231 ± 0.0005 Å
α	90°
β	98.87 ± 0.005°
γ	90°
Cell volume	1928.58 ± 0.18 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0942
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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