Information card for entry 4324277

Structure parameters

• Formula: C19 H21 N2 P S
• Calculated formula: C19 H21 N2 P S
• SMILES: S=P(c1n(ccn1)C(C)(C)C)(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: 8.6397 ± 0.0003 Å
• b: 9.3631 ± 0.0003 Å
• c: 11.7671 ± 0.0003 Å
• α: 87.327 ± 0.002°
• β: 73.242 ± 0.002°
• γ: 73.673 ± 0.002°
• Cell volume: 874.1 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0421
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No