Information card for entry 1574797

Structure parameters

• Formula: C37.12 H28.61 N1.12 O3.38
• Calculated formula: C37.125 H28.6076 N1.125 O3.375
• 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: 35.3662 ± 0.0015 Å
• b: 35.3662 ± 0.0015 Å
• c: 9.9973 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10829 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No