Information card for entry 7157215

Structure parameters

• Formula: C39 H29 N
• Calculated formula: C39 H29 N
• Title of publication: Lewis or Brønsted acid-catalysed reaction of propargylic alcohol-tethered alkylidenecyclopropanes with indoles and pyrroles for the preparation of polycyclic compounds tethered with indole or pyrrole motif.
• Authors of publication: Wei, Hao-Zhao; Yu, Liu-Zhu; Shi, Min
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 18
• Journal issue: 1
• Pages of publication: 135 - 139
• a: 9.624 ± 0.0003 Å
• b: 12.1733 ± 0.0004 Å
• c: 13.1933 ± 0.0004 Å
• α: 73.415 ± 0.001°
• β: 72.876 ± 0.001°
• γ: 78.771 ± 0.001°
• Cell volume: 1405.32 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1136
• 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