Crystallography Open Database

Information card for entry 7156908

Preview

Coordinates	7156908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H39 B Cl3 F3 N2
Calculated formula	C49 H39 B Cl3 F3 N2
Title of publication	Push-pull isomers of indolizino[6,5,4,3-def]phenanthridine decorated with a triarylboron moiety.
Authors of publication	Dong, Lei; Saraci, Felix; Yuan, Kang; Wang, Xiang; Wang, Suning
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	26
Pages of publication	6470 - 6477
a	8.5885 ± 0.0006 Å
b	14.6907 ± 0.0012 Å
c	16.3399 ± 0.0013 Å
α	93.829 ± 0.003°
β	94.403 ± 0.003°
γ	98.387 ± 0.003°
Cell volume	2027.2 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.2054
Residual factor for significantly intense reflections	0.0806
Weighted residual factors for significantly intense reflections	0.1959
Weighted residual factors for all reflections included in the refinement	0.2983
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
225117 (current)	2019-11-08	cif/ Updating files of 7156907, 7156908 Original log message: Adding full bibliography for 7156907--7156908.cif.	7156908.cif
215862	2019-06-12	cif/ Adding structures of 7156907, 7156908 via cif-deposit CGI script.	7156908.cif