Information card for entry 7160152

Structure parameters

• Formula: C18 H15 N O2
• Calculated formula: C18 H15 N O2
• Title of publication: Propargyl Alcohol as Acrolein Equivalent: A Catalyst-Free Synthesis of β-(3-Indolyl)acroleins and β-(Imidazo[1,2-a]pyridin-3-yl)acroleins
• Authors of publication: Bhawani, *; Sonam, *; Swami, Prakash N.; Shinde, Vikki N.; Rangan, Krishnan; Kumar, Anil
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 9.819 ± 0.0002 Å
• b: 13.9258 ± 0.0002 Å
• c: 10.695 ± 0.0002 Å
• α: 90°
• β: 97.12 ± 0.002°
• γ: 90°
• Cell volume: 1451.13 ± 0.05 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• 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: 0.046
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No