Crystallography Open Database

Information card for entry 7234773

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Structure parameters

Formula	C33 H18 B F2 N3 O3
Calculated formula	C33 H18 B F2 N3 O3
SMILES	c12c(cc3c(c1)C(=O)N1C3=Nc3[n]([B]1(F)F)cccc3)Oc1c(c3c(cc1)cccc3)c1c3c(cccc3)ccc1O2
Title of publication	Chiral binaphthyl-linked BODIPY analogues: synthesis and spectroscopic properties
Authors of publication	Yanping Wu; Sisi Wang; Zhifang Li; Zhen Shen; Hua Lu
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	4668 - 4674
a	11.4844 ± 0.0015 Å
b	14.5457 ± 0.0016 Å
c	15.7575 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2632.3 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.068
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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