Crystallography Open Database

Information card for entry 7124658

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Coordinates	7124658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 B O2
Calculated formula	C22 H21 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	11.7096 ± 0.0013 Å
b	10.8168 ± 0.0011 Å
c	14.2151 ± 0.0015 Å
α	90°
β	91.551 ± 0.01°
γ	90°
Cell volume	1799.8 ± 0.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1076
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.136
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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