Information card for entry 7160062

Structure parameters

• Formula: C26 H29 N O3
• Calculated formula: C26 H29 N O3
• Title of publication: Entry to 4,5-fused coumarin frameworks <i>via</i> radical-promoted alkylative intramolecular C5-annulation.
• Authors of publication: Raji Reddy, Chada; Edhara, Venkatareddy; Kumari, Ankita; Patil, Amol D.; Thandavamurthy, Karthikeyan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 31
• Pages of publication: 6385 - 6392
• a: 21.6934 ± 0.0012 Å
• b: 9.8813 ± 0.0012 Å
• c: 10.474 ± 0.003 Å
• α: 90°
• β: 101.399 ± 0.006°
• γ: 90°
• Cell volume: 2200.9 ± 0.7 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: 0.1669
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1473
• 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