Information card for entry 4036130

Structure parameters

• Formula: C25 H25 N2 O P
• Calculated formula: C25 H25 N2 O P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)c1n(CCC)c(nc1C)c1ccccc1
• 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: 11.324 ± 0.002 Å
• b: 8.6176 ± 0.0018 Å
• c: 11.838 ± 0.003 Å
• α: 90°
• β: 105.763 ± 0.004°
• γ: 90°
• Cell volume: 1111.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No