Crystallography Open Database

Information card for entry 7250577

Preview

Coordinates	7250577.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3, 3'- (bis-2-isopropyl-5-methylcyclohexyl) bis(carbonate) helicene
Formula	C68 H62 O6
Calculated formula	C68 H62 O6
Title of publication	An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons
Authors of publication	Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L.
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	26
Pages of publication	20935 - 20943
a	24.4751 ± 0.001 Å
b	14.97496 ± 0.0001 Å
c	30.655 ± 0.0013 Å
α	90°
β	151.936 ± 0.012°
γ	90°
Cell volume	5286 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.2263
Weighted residual factors for all reflections included in the refinement	0.2301
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300151 (current)	2025-06-21	cif/ Adding structures of 7250572, 7250573, 7250574, 7250575, 7250576, 7250577 via cif-deposit CGI script.	7250577.cif