Crystallography Open Database

Information card for entry 7126179

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Coordinates	7126179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 N4
Calculated formula	C8 H5 N2
Title of publication	Short-step synthesis and chiroptical properties of polyaza[5]-[9]helicenes with blue to green-colour emission.
Authors of publication	Otani, Takashi; Sasayama, Takuma; Iwashimizu, Chisaki; Kanyiva, Kyalo Stephen; Kawai, Hidetoshi; Shibata, Takanori
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	32
Pages of publication	4484 - 4487
a	11.6524 ± 0.0007 Å
b	4 ± 0.0002 Å
c	14.3571 ± 0.0008 Å
α	90°
β	92.273 ± 0.007°
γ	90°
Cell volume	668.65 ± 0.06 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	3
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.1641
Residual factor for significantly intense reflections	0.1609
Weighted residual factors for significantly intense reflections	0.401
Weighted residual factors for all reflections included in the refinement	0.4065
Goodness-of-fit parameter for all reflections included in the refinement	1.892
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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