Crystallography Open Database

Information card for entry 7124657

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Coordinates	7124657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 B O2
Calculated formula	C21 H19 B O2
Title of publication	Pyrene boronic acid cyclic ester: a new fast self-recovering mechanoluminescent material at room temperature.
Authors of publication	Wang, Taisheng; Zhang, Na; Zhang, Ke; Dai, Jingwen; Bai, Wei; Bai, Ruke
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	62
Pages of publication	9679 - 9682
a	14.9097 ± 0.0004 Å
b	6.6345 ± 0.0002 Å
c	16.6553 ± 0.0004 Å
α	90°
β	92.822 ± 0.002°
γ	90°
Cell volume	1645.52 ± 0.08 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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