Information card for entry 7159395

Structure parameters

• Formula: C36 H28 N2 O3
• Calculated formula: C36 H28 N2 O3
• Title of publication: (3 + 3) Annulation of acetoxy allenoates with enolisable carbonyl substrates leading to fused pyrans.
• Authors of publication: Debnath, Shubham; Chauhan, Sachin; Kumara Swamy, K. C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 24
• Pages of publication: 5021 - 5032
• a: 10.5236 ± 0.0003 Å
• b: 11.4554 ± 0.0005 Å
• c: 12.9859 ± 0.0004 Å
• α: 100.268 ± 0.003°
• β: 113.577 ± 0.003°
• γ: 98.024 ± 0.003°
• Cell volume: 1372.68 ± 0.1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.276
• Residual factor for significantly intense reflections: 0.1228
• Weighted residual factors for significantly intense reflections: 0.2528
• Weighted residual factors for all reflections included in the refinement: 0.4444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No