Crystallography Open Database

Information card for entry 7058760

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Coordinates	7058760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H11 N O2 S
Calculated formula	C14 H11 N O2 S
Title of publication	Exploring the hidden potential of a methoxy substituted HBT derivative as an efficient example of coupling of AIE and ESIPT processes and as an energy harvesting platform
Authors of publication	Bhattacharyya, Arghyadeep; Makhal, Subhash Chandra; Kumar Mandal, Sujoy; Guchhait, Nikhil
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	38
Pages of publication	15087
a	16.1754 ± 0.0012 Å
b	6.0607 ± 0.0004 Å
c	12.2782 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1203.68 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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