Information card for entry 7005504

Structure parameters

• Common name: 2-Cyclopentadienyl-1,3-bis-(2,6-diisopropyl-phenyl)-1,3,2- diazaphospholene
• Chemical name: 2-Cyclopentadienyl-1,3-bis-(2,6-diisopropyl-phenyl)-1,3,2-diazaphospholene
• Formula: C35 H49 N2 O P
• Calculated formula: C35 H49 N2 O P
• SMILES: p1(n(ccn1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C1C=CC=C1.O1CCCC1
• 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: 9.9003 ± 0.0002 Å
• b: 18.4544 ± 0.0004 Å
• c: 17.5559 ± 0.0004 Å
• α: 90°
• β: 98.506 ± 0.001°
• γ: 90°
• Cell volume: 3172.25 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0736
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No