Information card for entry 7132034

Structure parameters

• Formula: C28 H20 N2 O
• Calculated formula: C28 H20 N2 O
• Title of publication: Electrochemical Reductive Cascade Cyclizations of o-Alkynylated Derivatives for Saturated Amides/Amines
• Authors of publication: Ramasamy, Anandhan; Bhargava Reddy, Mandapati; Prabhu, Sakthivel
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 7.6187 ± 0.0006 Å
• b: 12.5488 ± 0.001 Å
• c: 13.1109 ± 0.0011 Å
• α: 98.304 ± 0.003°
• β: 106.817 ± 0.003°
• γ: 96.575 ± 0.003°
• Cell volume: 1171.01 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No