Information card for entry 1574795

Structure parameters

• Formula: C54 H40 F6 N2 O6
• Calculated formula: C54 H40 F6 N2 O6
• Title of publication: Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights.
• Authors of publication: Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 27
• Pages of publication: 12350 - 12361
• a: 11.3001 ± 0.0007 Å
• b: 13.4126 ± 0.0008 Å
• c: 16.3714 ± 0.0009 Å
• α: 76.397 ± 0.002°
• β: 75.85 ± 0.002°
• γ: 67.123 ± 0.002°
• Cell volume: 2189.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No