Crystallography Open Database

Information card for entry 7045463

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Structure parameters

Formula	C22 H17 B F2 N4 O2
Calculated formula	C22 H17 B F2 N4 O2
SMILES	F[B]1([n]2c(=C(c3c(O)c(/N=N/c4ccc(OC)cc4)ccc3)c3n1ccc3)ccc2)F
Title of publication	Time dependent aggregation induced emission enhancement and the study of molecular packing in closely related azo-phenol BODIPY species.
Authors of publication	Paitandi, Rajendra Prasad; Singh, Roop Shikha; Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Pandey, Daya Shankar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	11
Pages of publication	3785 - 3795
a	7.2565 ± 0.0005 Å
b	7.8314 ± 0.0005 Å
c	17.8401 ± 0.0011 Å
α	101.755 ± 0.002°
β	93.007 ± 0.002°
γ	101.674 ± 0.002°
Cell volume	967.38 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	1.0797
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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