Crystallography Open Database

Information card for entry 4034756

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Coordinates	4034756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H11 N O6
Calculated formula	C22 H11 N O6
Title of publication	Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.
Authors of publication	Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	24
Pages of publication	15426 - 15437
a	15.7405 ± 0.0003 Å
b	15.7405 ± 0.0003 Å
c	11.9054 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	2554.53 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.1035
Residual factor for significantly intense reflections	0.0968
Weighted residual factors for significantly intense reflections	0.2556
Weighted residual factors for all reflections included in the refinement	0.2804
Goodness-of-fit parameter for all reflections included in the refinement	1.252
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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