Crystallography Open Database

Information card for entry 7207435

7207434 << 7207435 >> 7207436

Preview

Coordinates	7207435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H56 B2 F4 N6
Calculated formula	C49 H56 B2 F4 N6
Title of publication	Crystal structures and solid-state fluorescence of BODIPY dyes based on Λ-shaped Tröger's base
Authors of publication	Xi, He; Yuan, Chun-Xue; Li, Ye-Xin; Liu, Yang; Tao, Xu-Tang
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	6
Pages of publication	2087
a	8.6642 ± 0.0003 Å
b	11.7031 ± 0.0004 Å
c	22.3567 ± 0.0006 Å
α	86.773 ± 0.002°
β	86.541 ± 0.002°
γ	86.636 ± 0.002°
Cell volume	2255.73 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0747
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180405 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/74.	7207435.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207435.cif
37642	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7207435, 7207436 via cif-deposit CGI script.	7207435.cif