Crystallography Open Database

Information card for entry 7160576

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Coordinates	7160576.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	10-(p-Tolyl)naphtho[2,1-f]phenanthro[9,10-h]quinoxaline
Formula	C35 H22 N2
Calculated formula	C35 H22 N2
Title of publication	Double aza[4,5]helicenes with a common naphthalene core: synthesis, crystal structure and optical properties
Authors of publication	Sokha, Samita J.; Marchenko, Sergey S.; Demidov, Oleg; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	15.3608 ± 0.0002 Å
b	13.6967 ± 0.0001 Å
c	11.1042 ± 0.0001 Å
α	90°
β	93.796 ± 0.001°
γ	90°
Cell volume	2331.11 ± 0.04 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0549
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
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
299917 (current)	2025-06-03	cif/ Adding structures of 7160574, 7160575, 7160576, 7160577 via cif-deposit CGI script.	7160576.cif