Information card for entry 7161146

Structure parameters

• Formula: C40 H38 N2 O4
• Calculated formula: C40 H38 N2 O4
• Title of publication: Utility of α-halodicyclopentadienones for the synthesis of novel fused heterocycles
• Authors of publication: Lal, Sohan; Tejashree, Gangavara L.; Das, Dipankar; Ganguly, Bishwajit; Chowdhury, Arindrajit; Namboothiri, Irishi N.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 8.3696 ± 0.0004 Å
• b: 9.917 ± 0.0004 Å
• c: 20.057 ± 0.0009 Å
• α: 96.597 ± 0.003°
• β: 94.003 ± 0.004°
• γ: 112.839 ± 0.004°
• Cell volume: 1512.13 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0572
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0529
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No