Information card for entry 4324319

Structure parameters

• Common name: Dip2-AFAH:Tol
• Formula: C38 H48 N2
• Calculated formula: C38 H48 N2
• SMILES: N(C=C1C(=CC=C1)/C=N/c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C
• Title of publication: Synthesis and Structure of 6-Aminofulvene-2-aldiminate Complexes
• Authors of publication: Alexander M. Willcocks; Alexander Gilbank; Stephen P. Richards; Simon K. Brayshaw; Andrew J. Kingsley; Raj Odedra; Andrew L. Johnson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 937 - 948
• a: 10.656 ± 0.0005 Å
• b: 20.283 ± 0.0004 Å
• c: 15.322 ± 0.0007 Å
• α: 90°
• β: 99.118 ± 0.002°
• γ: 90°
• Cell volume: 3269.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.124
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No