Information card for entry 1553711

Structure parameters

• Formula: C63 H55 N6
• Calculated formula: C63 H52 N6
• Title of publication: Synthesis and properties of a twin donor molecule composed of cofacially stacked dihydrodiazapentacenes
• Authors of publication: Sakamaki, Daisuke; Saeki, Hidenori; Seki, Shu
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 530
• a: 14.2255 ± 0.0016 Å
• b: 29.98 ± 0.004 Å
• c: 22.944 ± 0.003 Å
• α: 90°
• β: 92.5721 ± 0.0018°
• γ: 90°
• Cell volume: 9775 ± 2 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2031
• Residual factor for significantly intense reflections: 0.1153
• Weighted residual factors for significantly intense reflections: 0.2622
• Weighted residual factors for all reflections included in the refinement: 0.3164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No