Information card for entry 7716473

Structure parameters

• Formula: C48 H67 N2 Na O3
• Calculated formula: C48 H67 N2 Na O3
• Title of publication: Proton-assisted seven-electron acceptor properties of di-iso-propylphenyl-bis-iminoacenaphthene.
• Authors of publication: Khrizanforova, Vera V.; Fayzullin, Robert R.; Morozov, Vladimir I.; Budnikova, Yulia H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 28
• Pages of publication: 11659 - 11663
• a: 20.243 ± 0.0011 Å
• b: 11.4393 ± 0.0006 Å
• c: 18.8683 ± 0.001 Å
• α: 90°
• β: 95.5627 ± 0.0011°
• γ: 90°
• Cell volume: 4348.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.065
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No