Crystallography Open Database

Information card for entry 7160577

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Coordinates	7160577.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	9-(p-Tolyl)naphtho[2,1-a]phenanthro[9,10-c]phenazine
Formula	C39 H24 N2
Calculated formula	C39 H24 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	8.9067 ± 0.0003 Å
b	11.7479 ± 0.0004 Å
c	14.91 ± 0.0005 Å
α	94.611 ± 0.003°
β	100.588 ± 0.003°
γ	107.817 ± 0.003°
Cell volume	1444.35 ± 0.09 Å³
Cell temperature	100.01 ± 0.15 K
Ambient diffraction temperature	100.01 ± 0.15 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	7160577.cif