Crystallography Open Database

Information card for entry 7233495

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Coordinates	7233495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H30 N2
Calculated formula	C52 H30 N2
Title of publication	Quinoxaline based D-A-D molecules: high contrast reversible solid-state mechano- and thermo-responsive fluorescent materials
Authors of publication	Rajeswara Rao M; Chia-Wei Liao; Wei-Lin Su; Shih-Sheng Sun
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	5491 - 5501
a	25.1073 ± 0.0011 Å
b	11.3157 ± 0.0005 Å
c	12.0314 ± 0.0005 Å
α	90°
β	96.39 ± 0.002°
γ	90°
Cell volume	3397 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
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	0.0841
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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