Crystallography Open Database

Information card for entry 7117041

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Structure parameters

Formula	C29 H16 B F10 N O2
Calculated formula	C29 H16 B F10 N O2
SMILES	[B]1([O]=C(c2ccccc2)C=C(O1)c1ccc(cc1)N(C)C)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
Title of publication	The facile realization of RGB luminescence based on one yellow emissive four-coordinate organoboron material
Authors of publication	Lu Wang; Kai Wang; Houyu Zhang; Chuanjun Jiao; Bo Zou; Kaiqi Ye; Hongyu Zhang; Yue Wang
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	7701
a	11.0372 ± 0.0007 Å
b	11.6357 ± 0.0007 Å
c	11.866 ± 0.0007 Å
α	111.316 ± 0.001°
β	103.831 ± 0.001°
γ	100.243 ± 0.001°
Cell volume	1318.13 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0778
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1484
Weighted residual factors for all reflections included in the refinement	0.1645
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7117041.cif
180284	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/70.	7117041.cif
135336	2015-04-23	cif/ Adding structures of 7117041, 7117042 via cif-deposit CGI script.	7117041.cif