Information card for entry 7005505

Structure parameters

• Common name: 2-pentamethylcyclopentadienyl-1,3-bis-mesityl-1,3,2- diazaphospholene
• Chemical name: 2-pentamethylcyclopentadienyl-1,3-bis-mesityl-1,3,2-diazaphospholene
• Formula: C30 H39 N2 P
• Calculated formula: C30 H39 N2 P
• SMILES: p1(n(ccn1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C1(C(=C(C(=C1C)C)C)C)C
• Title of publication: Structures, dynamic behaviour, and reactivity of P-cyclopentadienyl-substituted 1,3,2-diazaphospholenes
• Authors of publication: Sebastian Burck; Dietrich Gudat; Martin Nieger; Jürgen Tirreé
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 19
• Pages of publication: 1891
• a: 9.9703 ± 0.0002 Å
• b: 10.6255 ± 0.0003 Å
• c: 13.799 ± 0.0004 Å
• α: 75.585 ± 0.001°
• β: 85.812 ± 0.001°
• γ: 69.263 ± 0.001°
• Cell volume: 1323.93 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No