Information card for entry 7716474

Structure parameters

• Formula: C36 H44 N2
• Calculated formula: C36 H44 N2
• Title of publication: Proton-assisted seven-electron acceptor properties of di-iso-propylphenyl-bis-iminoacenaphthene
• Authors of publication: Khrizanforova, Vera; Fayzullin, Robert R.; Morozov, Vladimir; Budnikova, Yulia H.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 9.7686 ± 0.0003 Å
• b: 21.0525 ± 0.0006 Å
• c: 15.3129 ± 0.0004 Å
• α: 90°
• β: 105.369 ± 0.0007°
• γ: 90°
• Cell volume: 3036.54 ± 0.15 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No