Crystallography Open Database

Information card for entry 7062498

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Coordinates	7062498.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Diiodo cyanostilbene
Formula	C15 H9 I2 N
Calculated formula	C15 H9 I2 N
Title of publication	Halogen-bonded co-crystals with AIE-active α-cyanostilbenes
Authors of publication	Dahiwadkar, Rahul; Dubey, Gurudutt; Shaik, Althaf; Jana, Palash; Thiruvenkatam, Vijay; Kanvah, Sriram
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	24
Pages of publication	11685 - 11696
a	26.328 ± 0.002 Å
b	26.825 ± 0.003 Å
c	8.2403 ± 0.0007 Å
α	90°
β	93.478 ± 0.002°
γ	90°
Cell volume	5809 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1579
Residual factor for significantly intense reflections	0.0869
Weighted residual factors for significantly intense reflections	0.1965
Weighted residual factors for all reflections included in the refinement	0.2379
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	Yes
Has F_obs	No

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