Information card for entry 8103127

Structure parameters

• Formula: C20 H22 N2 O2
• Calculated formula: C20 H22 N2 O2
• Title of publication: Crystal structure of bis(acetylacetone)-p-naphthalenediimine, C20H22N2O2
• Authors of publication: De-Qiang Qi; Piao-Piao Lin; Fen-Fen Ni; Tian-Hao Kong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 99
• a: 8.196 ± 0.002 Å
• b: 9.078 ± 0.002 Å
• c: 12.235 ± 0.003 Å
• α: 90°
• β: 109.57 ± 0.01°
• γ: 90°
• Cell volume: 857.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No