Crystallography Open Database

Information card for entry 7238537

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Coordinates	7238537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 B F2 O4
Calculated formula	C19 H17 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	10.6842 ± 0.0007 Å
b	7.2837 ± 0.0004 Å
c	12.8423 ± 0.0007 Å
α	90°
β	120.355 ± 0.007°
γ	90°
Cell volume	862.39 ± 0.11 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1812
Weighted residual factors for all reflections included in the refinement	0.1899
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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