Crystallography Open Database

Information card for entry 7129868

Preview

Coordinates	7129868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C196 H209 N3 O6
Calculated formula	C196 H209 N3 O6
Title of publication	π-Expanded triple [5]helicenes bearing dibenzocoronene monoimide subunits.
Authors of publication	Chen, Yan; Zhou, Ruihu; Liu, Xinyue; Yang, Cao; Wang, Tingting; Shi, Fenghui; Zhang, Lei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2022
Journal volume	58
Journal issue	29
Pages of publication	4671 - 4674
a	10.2309 ± 0.0001 Å
b	30.6709 ± 0.0002 Å
c	32.1621 ± 0.0003 Å
α	81.021 ± 0.001°
β	83.878 ± 0.001°
γ	87.77 ± 0.001°
Cell volume	9909.1 ± 0.15 Å³
Cell temperature	169.99 ± 0.13 K
Ambient diffraction temperature	169.99 ± 0.13 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1092
Residual factor for significantly intense reflections	0.0908
Weighted residual factors for significantly intense reflections	0.2517
Weighted residual factors for all reflections included in the refinement	0.2668
Goodness-of-fit parameter for all reflections included in the refinement	1.871
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
274945 (current)	2022-05-05	cif/ Updating files of 7129868 Original log message: Adding full bibliography for 7129868.cif.	7129868.cif
273757	2022-03-18	cif/ Adding structures of 7129868 via cif-deposit CGI script.	7129868.cif