Crystallography Open Database

Information card for entry 7131390

Preview

Coordinates	7131390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 N4
Calculated formula	C16 H12 N4
Title of publication	A convenient route to a vinylogous dicyano aryl based AIEgen with switchable mechanochromic luminescence properties.
Authors of publication	Ghosh, Saurajit; Bhambri, Himanshi; Singh, Ajeet Kumar; Mandal, Sanjay K.; Roy, Lisa; Addy, Partha Sarathi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	30
Pages of publication	4463 - 4466
a	18.742 ± 0.002 Å
b	5.2346 ± 0.0005 Å
c	14.0627 ± 0.0014 Å
α	90°
β	105.787 ± 0.003°
γ	90°
Cell volume	1327.6 ± 0.2 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102 K
Number of distinct elements	3
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	0.0337
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0526
Weighted residual factors for all reflections included in the refinement	0.0535
Goodness-of-fit parameter for all reflections included in the refinement	1.1234
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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