Information card for entry 4025358

Structure parameters

• Common name: compound 4
• Chemical name: N1,N8-bis(diphenylmethylene)naphthalene-1,8-diamine
• Formula: C37 H27.5 N2.25
• Calculated formula: C37 H27.5 N2.25
• Title of publication: Structure and Stereodynamics of Aryldiimino Derivatives
• Authors of publication: Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 2572 - 2577
• a: 12.258 ± 0.003 Å
• b: 20.15 ± 0.004 Å
• c: 11.618 ± 0.002 Å
• α: 90°
• β: 101.276 ± 0.003°
• γ: 90°
• Cell volume: 2814.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No