Crystallography Open Database

Information card for entry 7126180

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Coordinates	7126180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H15 Cl3 N4
Calculated formula	C24.5 H15 Cl N4
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	11.21 Å
b	17.1917 Å
c	19.618 Å
α	90°
β	90°
γ	90°
Cell volume	3780.76 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.1696
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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