Information card for entry 7132063

Structure parameters

• Formula: C15 H11 N O2
• Calculated formula: C15 H11 N O2
• Title of publication: Catalytic cascade synthesis of cyanohydrin esters via water/O2-induced cyanide transfer from K3Fe(CN)6
• Authors of publication: Singh, Anupamkumar; Chauhan, Shivani Singh; Bhadra, Sukalyan
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 14.6245 ± 0.001 Å
• b: 11.4172 ± 0.0008 Å
• c: 7.6696 ± 0.0005 Å
• α: 90°
• β: 102.208 ± 0.003°
• γ: 90°
• Cell volume: 1251.64 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 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: 0.0631
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No