Crystallography Open Database

Information card for entry 7238448

Preview

Coordinates	7238448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 B F2 N2 O3
Calculated formula	C22 H21 B F2 N2 O3
Title of publication	Controlled Knoevenagel reactions of methyl groups of 1,3,5,7-tetramethyl BODIPY dyes for unique BODIPY dyes
Authors of publication	Zhu, Shilei; Zhang, Jingtuo; Vegesna, Giri; Tiwari, Ashutosh; Luo, Fen-Tair; Zeller, Matthias; Luck, Rudy; Li, Haihua; Green, Sarah; Liu, Haiying
Journal of publication	RSC Adv.
Year of publication	2012
Journal volume	2
Journal issue	2
Pages of publication	404
a	6.5685 ± 0.0005 Å
b	8.8104 ± 0.0006 Å
c	16.478 ± 0.001 Å
α	81.757 ± 0.001°
β	84.965 ± 0.001°
γ	85.897 ± 0.001°
Cell volume	938.42 ± 0.11 Å³
Cell temperature	447 ± 2 K
Ambient diffraction temperature	447 ± 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	0.064
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
244178 (current)	2019-11-28	cif/ Adding structures of 7238447, 7238448 via cif-deposit CGI script.	7238448.cif