Crystallography Open Database

Information card for entry 7249101

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Coordinates	7249101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 Br2 N O
Calculated formula	C16 H11 Br2 N O
Title of publication	Design of mechanically flexible photoresponsive cyanostilbene molecular crystals
Authors of publication	Parthasarathy, Thiyagaraj; Bhattacharya, Biswajit; Emmerling, Franziska; Ghosh, Soumyajit
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	34
Pages of publication	4634 - 4642
a	30.2798 ± 0.0012 Å
b	6.8134 ± 0.0003 Å
c	14.1349 ± 0.0006 Å
α	90°
β	93.921 ± 0.002°
γ	90°
Cell volume	2909.3 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.132
Weighted residual factors for all reflections included in the refinement	0.1341
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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