Information card for entry 1545745

Structure parameters

• Formula: C20 H19 N O2 S
• Calculated formula: C20 H19 N O2 S
• SMILES: S(=O)(=O)(n1c2c(cc(cc2)C(C)C)c2c3ccccc3ccc12)C
• Title of publication: An Organic Intermolecular Dehydrogenative Annulation Reaction.
• Authors of publication: Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 8
• Pages of publication: 2006 - 2009
• a: 15.6695 ± 0.0007 Å
• b: 5.5971 ± 0.0003 Å
• c: 39.2584 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3443.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1255
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.2245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No