Crystallography Open Database

Information card for entry 1520443

1520442 << 1520443 >> 1520444

Preview

Coordinates	1520443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 B Cl2 F2 N3
Calculated formula	C32 H24 B Cl2 F2 N3
SMILES	c1cc2ccccc2c2c1n1c3c2c2ccccc2cc3C2c3ccccc3\C([N]=2[B]1(F)F)=C/N(C)C.C(Cl)Cl
Title of publication	Carbazole-Based Boron Dipyrromethenes (BODIPYs): Facile Synthesis, Structures, and Fine-Tunable Optical Properties.
Authors of publication	Maeda, Chihiro; Todaka, Takumi; Ema, Tadashi
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	12
Pages of publication	3090 - 3093
a	7.3425 ± 0.0014 Å
b	11.0127 ± 0.0016 Å
c	15.884 ± 0.003 Å
α	94.772 ± 0.004°
β	97.467 ± 0.007°
γ	91.375 ± 0.01°
Cell volume	1268.3 ± 0.4 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.0314
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
140268 (current)	2015-07-05	cif/ Updating files of 1520439, 1520440, 1520441, 1520442, 1520443, 1520444, 1520445 Original log message: Adding full bibliography for 1520439--1520445.cif.	1520443.cif
138951	2015-06-09	cif/ Adding structures of 1520443 via cif-deposit CGI script.	1520443.cif