Information card for entry 4036131

Structure parameters

• Formula: C26 H27 N2 O P
• Calculated formula: C26 H27 N2 O P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)c1c(n(c(n1)c1ccccc1)CC(C)C)C
• Title of publication: Regioselective Synthesis of Highly Substituted Imidazoles via the Sequential Reaction of Allenyl Sulfonamides and Amines.
• Authors of publication: Yu, Lian; Deng, Yuan; Cao, Jian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 9
• Pages of publication: 4729 - 4735
• a: 12.0256 ± 0.0013 Å
• b: 8.4182 ± 0.0009 Å
• c: 22.784 ± 0.002 Å
• α: 90°
• β: 100.093 ± 0.002°
• γ: 90°
• Cell volume: 2270.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No