Information card for entry 7106674

Structure parameters

• Formula: C29 H28 N2 O2 S
• Calculated formula: C29 H28 N2 O2 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)N1[C@H](CN([C@H]1c1ccccc1)c1ccccc1)Cc1ccccc1
• Title of publication: Visible light-induced intramolecular cyclization reactions of diamines: a new strategy to construct tetrahydroimidazoles
• Authors of publication: Jun Xuan; Ying Cheng; Jing An; Liang-Qiu Lu; Xiao-Xiao Zhang; 'Wen-Jing Xiao
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 8337
• a: 7.9943 ± 0.001 Å
• b: 16.668 ± 0.002 Å
• c: 18.837 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2510 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No