Crystallography Open Database

Information card for entry 1513275

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Structure parameters

Formula	C21 H23 B F2 N2
Calculated formula	C21 H23 B F2 N2
SMILES	[B]1(F)(F)[n]2c(C)cc(C)c2=C(c2n1c(C)cc2C)c1c(cccc1C)C
Title of publication	Color Tuning of Polyfluorene Emission with BODIPY Monomers
Authors of publication	Meng, Ge; Velayudham, Singaravelu; Smith, Adrian; Luck, Rudy; Liu, Haiying
Journal of publication	Macromolecules
Year of publication	2009
Journal volume	42
Journal issue	6
Pages of publication	1995
a	20.442 ± 0.005 Å
b	7.847 ± 0.002 Å
c	25.831 ± 0.008 Å
α	90°
β	112.49 ± 0.02°
γ	90°
Cell volume	3828.4 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.1899
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1513275.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1513275.cif
99196	2014-01-30	cif/ Adding structures of 1513275 via cif-deposit CGI script.	1513275.cif