Crystallography Open Database

Information card for entry 7250573

Preview

Coordinates	7250573.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	6-bromonaphthalen-2-yl (2-isopropyl-5-methyl-cyclohexyl) carbonate
Formula	C21 H25 Br O3
Calculated formula	C21 H25 Br O3
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	11.2895 ± 0.0001 Å
b	6.4204 ± 0.0001 Å
c	13.5684 ± 0.0002 Å
α	90°
β	100.462 ± 0.001°
γ	90°
Cell volume	967.13 ± 0.02 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0212
Residual factor for significantly intense reflections	0.0209
Weighted residual factors for significantly intense reflections	0.0548
Weighted residual factors for all reflections included in the refinement	0.055
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	7250573.cif