Crystallography Open Database

Information card for entry 7059653

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Coordinates	7059653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 N2 O2
Calculated formula	C14 H12 N2 O2
Title of publication	Exciplex formation between a pair of synthesized AIEgens leads to white light generation: a spectroscopic exploration
Authors of publication	Bhattacharyya, Arghyadeep; Guchhait, Nikhil
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	25
Pages of publication	10671 - 10680
a	7.7339 ± 0.0012 Å
b	12.2579 ± 0.0019 Å
c	12.2548 ± 0.0019 Å
α	90°
β	94.074 ± 0.004°
γ	90°
Cell volume	1158.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0727
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1526
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	2.946
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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