Crystallography Open Database

Information card for entry 7126178

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Coordinates	7126178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H16 N6
Calculated formula	C15 H8 N3
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	22.3365 ± 0.0005 Å
b	22.3365 ± 0.0005 Å
c	9.9167 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4947.63 ± 0.19 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	3
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1996
Weighted residual factors for all reflections included in the refinement	0.2002
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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