Information card for entry 4313840

Structure parameters

• Formula: C18 H18 N3 P Se
• Calculated formula: C18 H18 N3 P Se
• SMILES: [Se]=P(Nc1ccccc1)(Nc1ccccc1)Nc1ccccc1
• Title of publication: Lithiation of Tris(alkyl- and arylamido)orthophosphates EP[N(H)R]3 (E = O, S, Se): Imido Substituent Effects and PE Bond Cleavage
• Authors of publication: Tristram Chivers; Mark Krahn; Gabriele Schatte; Masood Parvez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3994 - 4005
• a: 9.3044 ± 0.0002 Å
• b: 11.2562 ± 0.0002 Å
• c: 16.7247 ± 0.0004 Å
• α: 90°
• β: 104.766 ± 0.0008°
• γ: 90°
• Cell volume: 1693.77 ± 0.06 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No