Crystallography Open Database

Information card for entry 7155446

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Coordinates	7155446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C180 H138 Cl2 N2
Calculated formula	C180 H138 Cl2 N2
Title of publication	Synthesis of bright red-emissive dicyanoetheno-bridged hexa-peri-hexabenzocoronene dimers.
Authors of publication	Oda, Kazuma; Hiroto, Satoru; Hisaki, Ichiro; Shinokubo, Hiroshi
Journal of publication	Organic & biomolecular chemistry
Year of publication	2017
Journal volume	15
Journal issue	6
Pages of publication	1426 - 1434
a	12.3105 Å
b	12.6606 Å
c	22.2312 Å
α	84.259°
β	81.474°
γ	77.247°
Cell volume	3333.95 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1469
Residual factor for significantly intense reflections	0.0997
Weighted residual factors for significantly intense reflections	0.2648
Weighted residual factors for all reflections included in the refinement	0.3091
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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