Information card for entry 4038694

Structure parameters

• Formula: C37 H24 O2
• Calculated formula: C37 H24 O2
• Title of publication: Indane-Fused Spiropentadiene Chromanones: A Pd-Catalyzed Spiro-Annulation Followed by Cyclization via C-H Activation Strategy.
• Authors of publication: Sharma, Abhilash; Hazarika, Hemanta; Sarmah, Manashi; Das, Babulal; Gogoi, Pranjal
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 13.5792 ± 0.0007 Å
• b: 10.3124 ± 0.0005 Å
• c: 19.7937 ± 0.001 Å
• α: 90°
• β: 108.203 ± 0.002°
• γ: 90°
• Cell volume: 2633.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No