Information card for entry 7134931

Structure parameters

• Formula: C32 H22 N2
• Calculated formula: C32 H22 N2
• Title of publication: Exciton interactions in crystalline crossed diazapentacene.
• Authors of publication: Lijina, M. P.; Sujilkumar, Suvarna; Jadhav, Sohan D.; Hariharan, Mahesh
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 79
• Pages of publication: 15397 - 15400
• a: 15.539 ± 0.002 Å
• b: 15.539 ± 0.002 Å
• c: 9.7031 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2342.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No