Crystallography Open Database

Information card for entry 7234471

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Coordinates	7234471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H7.2 N0.4
Calculated formula	C11 H7.2 N0.4
Title of publication	Aggregation induced emission and mechanochromism in pyrenoimidazoles
Authors of publication	Thaksen Jadhav; Bhausaheb Dhokale; Shaikh M. Mobin; Rajneesh Misra
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	9981 - 9988
a	9.4209 ± 0.0006 Å
b	12.0079 ± 0.0011 Å
c	21.6114 ± 0.0018 Å
α	75.523 ± 0.008°
β	85.392 ± 0.006°
γ	73.484 ± 0.007°
Cell volume	2269.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1268
Residual factor for significantly intense reflections	0.1041
Weighted residual factors for significantly intense reflections	0.3147
Weighted residual factors for all reflections included in the refinement	0.3349
Goodness-of-fit parameter for all reflections included in the refinement	1.153
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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