Crystallography Open Database

Information card for entry 7058165

Preview

Coordinates	7058165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H37 B F2 N2
Calculated formula	C47 H37 B F2 N2
Title of publication	BODIPY‒ortho-carborane‒tetraphenylethylene triad: synthesis, characterization, and properties
Authors of publication	Nar, Ilgın; Atsay, Armağan; Buyruk, Ali; Pekbelgin Karaoğlu, Hande; Burat, Ayfer Kalkan; Hamuryudan, Esin
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	11
Pages of publication	4471
a	8.4917 ± 0.0009 Å
b	10.9196 ± 0.0011 Å
c	20.148 ± 0.002 Å
α	80.996 ± 0.003°
β	83.209 ± 0.003°
γ	76.283 ± 0.003°
Cell volume	1786.2 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0977
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.1453
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
224982 (current)	2019-11-08	cif/ Updating files of 7058165, 7058166 Original log message: Adding full bibliography for 7058165--7058166.cif.	7058165.cif
213656	2019-02-15	cif/ Adding structures of 7058165, 7058166 via cif-deposit CGI script.	7058165.cif