Information card for entry 4032188

Structure parameters

• Formula: C42 H33 N O4 S2
• Calculated formula: C42 H33 N O4 S2
• Title of publication: [4 + 2] Benzannulation of 3-Alkenylpyrroles/Thiophenes with Propargylic Alcohols: Access to Substituted Indoles, Benzothiophenes, and Aza[5]helicenes.
• Authors of publication: Raji Reddy, Chada; Rani Valleti, Reddi; Sathish, Puppala
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 5
• Pages of publication: 2345 - 2354
• a: 9.083 ± 0.002 Å
• b: 10.211 ± 0.002 Å
• c: 35.645 ± 0.007 Å
• α: 90°
• β: 91.08 ± 0.03°
• γ: 90°
• Cell volume: 3305.4 ± 1.2 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No