Crystallography Open Database

Information card for entry 1520441

1520440 << 1520441 >> 1520442

Preview

Coordinates	1520441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C707 H656 B16 F32 N48 O9
Calculated formula	C706.992 H656 B16 F32 N48 O9
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	15.429 ± 0.002 Å
b	41.602 ± 0.007 Å
c	24.49 ± 0.004 Å
α	90°
β	91.209 ± 0.006°
γ	90°
Cell volume	15716 ± 4 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.171
Residual factor for significantly intense reflections	0.1213
Weighted residual factors for significantly intense reflections	0.2993
Weighted residual factors for all reflections included in the refinement	0.3481
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520441.cif
140268	2015-07-05	cif/ Updating files of 1520439, 1520440, 1520441, 1520442, 1520443, 1520444, 1520445 Original log message: Adding full bibliography for 1520439--1520445.cif.	1520441.cif
138949	2015-06-09	cif/ Adding structures of 1520441 via cif-deposit CGI script.	1520441.cif