Crystallography Open Database

Information card for entry 7058166

Preview

Coordinates	7058166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H55 B11 F2 N2 O2
Calculated formula	C49 H55 B11 F2 N2 O2
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	13.4097 ± 0.0011 Å
b	13.5319 ± 0.0011 Å
c	14.5334 ± 0.0012 Å
α	63.934 ± 0.002°
β	80.524 ± 0.002°
γ	89.72 ± 0.002°
Cell volume	2329.9 ± 0.3 Å³
Cell temperature	121 ± 2 K
Ambient diffraction temperature	121 ± 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	0.1114
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1366
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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.	7058166.cif
213656	2019-02-15	cif/ Adding structures of 7058165, 7058166 via cif-deposit CGI script.	7058166.cif