Information card for entry 7116005

Structure parameters

• Formula: C31 H35 N5 O3
• Calculated formula: C31 H35 N5 O3
• Title of publication: Organic mixed valency in quadruple hydrogen-bonded triarylamine dimers bearing ureido pyrimidinedione moieties
• Authors of publication: Keishiro Tahara; Tetsufumi Nakakita; Shohei Katao; Jun-ichi Kikuchi
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 15071
• a: 35.7967 ± 0.0009 Å
• b: 8.8766 ± 0.0002 Å
• c: 17.1376 ± 0.0004 Å
• α: 90°
• β: 99.2802 ± 0.0007°
• γ: 90°
• Cell volume: 5374.2 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No