Crystallography Open Database

Information card for entry 7160574

Preview

Coordinates	7160574.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	6-Iodo-5-phenylphenanthro[9,10-f]quinoxaline
Formula	C26 H15 I N2
Calculated formula	C26 H15 I 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	13.41874 ± 0.00011 Å
b	7.27707 ± 0.00005 Å
c	20.60254 ± 0.00015 Å
α	90°
β	104.508 ± 0.0008°
γ	90°
Cell volume	1947.67 ± 0.03 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0268
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0703
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	7160574.cif