Information card for entry 4324276

Structure parameters

• Formula: C19 H21 N2 O P
• Calculated formula: C19 H21 N2 O P
• SMILES: c1(n(ccn1)C(C)(C)C)P(=O)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Structure, and Reactions of 1-tert-Butyl-2-diphenylphosphino-imidazole
• Authors of publication: Susanne Sauerbrey; Paresh Kumar Majhi; Jörg Daniels; Gregor Schnakenburg; Gerhard Markus Brändle; Katharina Scherer; Rainer Streubel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 793 - 799
• a: 8.8311 ± 0.0003 Å
• b: 8.9032 ± 0.0003 Å
• c: 11.3574 ± 0.0004 Å
• α: 83.341 ± 0.002°
• β: 81.834 ± 0.002°
• γ: 75.385 ± 0.002°
• Cell volume: 852.32 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No