Information card for entry 7160178

Structure parameters

• Formula: C19 H14 N2 O
• Calculated formula: C19 H14 N2 O
• Title of publication: Silver-Catalyzed Regioselective Synthesis of Pyrano Heterocycles: A Versatile Route to Samoquasine A Derivatives
• Authors of publication: Chahal, Kapil; Badha, Ravikumar; Matharu, Simran Kaur; Vinod, Anjana; Damera, Vani; Potluri, Vijayarani; Balasubramanian, Sridhar; Reddy, Kallu Rajender
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 7.9636 ± 0.0005 Å
• b: 17.0485 ± 0.001 Å
• c: 10.3861 ± 0.0007 Å
• α: 90°
• β: 92.71 ± 0.003°
• γ: 90°
• Cell volume: 1408.52 ± 0.15 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: 0.0989
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No