Information card for entry 2006381

Structure parameters

• Chemical name: 1,8-Bis(dimethylphosphino)naphthalene
• Formula: C14 H18 P2
• Calculated formula: C14 H18 P2
• SMILES: P(C)(C)c1cccc2c1c(P(C)(C))ccc2
• Title of publication: 1,8-Bis(dimethylphosphino)naphthalene: an Unusual Case of Pseudosymmetry
• Authors of publication: Jones, Peter G.; Thönnessen, Holger; Karac̨ar, Atilla; Schmutzler, Reinhard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1119 - 1122
• a: 12.8075 ± 0.0018 Å
• b: 12.8075 ± 0.0018 Å
• c: 16.419 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2693.2 ± 0.7 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 3
• Space group number: 106
• Hermann-Mauguin space group symbol: P 42 b c
• Hall space group symbol: P 4c -2ab
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.101
• Weighted residual factors for significantly intense reflections: 0.0913
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No