Information card for entry 4028077

Structure parameters

• Formula: C24 H21 Cl4 N O4 S2
• Calculated formula: C24 H21 Cl4 N O4 S2
• SMILES: ClC1(Cl)C(=O)N(S(=O)(=O)c2ccc(cc2)C)C2=C[C@H](c3c([C@H]12)cccc3)C(Cl)(Cl)C(=O)SC(C)C
• Title of publication: Enantioselective Synthesis of Dihydro-1H-benzindoles
• Authors of publication: Gustavo P. Silveira; Joseph P. Marino
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 3379 - 3383
• a: 6.1467 ± 0.001 Å
• b: 23.558 ± 0.004 Å
• c: 9.1819 ± 0.0015 Å
• α: 90°
• β: 107.636 ± 0.002°
• γ: 90°
• Cell volume: 1267.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No