Crystallography Open Database

Information card for entry 7157716

Preview

Coordinates	7157716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 B2 F9 N3 O2
Calculated formula	C32 H26 B2 F9 N3 O2
Title of publication	Synthesis and properties of chiral fluorescent helicene-BODIPY conjugates.
Authors of publication	Moneva Lorente, Pau; Wallabregue, Antoine; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Lacour, Jérôme
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	38
Pages of publication	7677 - 7684
a	11.2245 ± 0.0005 Å
b	13.0227 ± 0.0005 Å
c	13.7251 ± 0.0005 Å
α	92.741 ± 0.003°
β	106.371 ± 0.003°
γ	107.992 ± 0.003°
Cell volume	1810.67 ± 0.14 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 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	0.0602
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.1593
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258981 (current)	2020-11-06	cif/ Updating files of 7157716 Original log message: Adding full bibliography for 7157716.cif.	7157716.cif
256758	2020-09-25	cif/ Adding structures of 7157716 via cif-deposit CGI script.	7157716.cif