Information card for entry 7131854

Structure parameters

• Formula: C17 H16 N2 O2
• Calculated formula: C17 H16 N2 O2
• Title of publication: Aminative annulation of cyano-enynyl esters leading to functionalized cyclopentenones.
• Authors of publication: Reddy, Chada Raji; Ganesh, Veeramalla; Punna, Nagender
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 55
• Pages of publication: 8600 - 8603
• a: 10.2278 ± 0.001 Å
• b: 8.9747 ± 0.0009 Å
• c: 15.8181 ± 0.0018 Å
• α: 90°
• β: 106.584 ± 0.004°
• γ: 90°
• Cell volume: 1391.6 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1209
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No