Information card for entry 1574794

Structure parameters

• Formula: C34 H26 Cl N O5
• Calculated formula: C34 H19 Cl N O5
• 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: 12.0072 ± 0.0007 Å
• b: 11.2445 ± 0.0009 Å
• c: 20.5394 ± 0.0016 Å
• α: 90°
• β: 91.189 ± 0.003°
• γ: 90°
• Cell volume: 2772.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.1466
• Residual factor for significantly intense reflections: 0.1115
• Weighted residual factors for significantly intense reflections: 0.252
• Weighted residual factors for all reflections included in the refinement: 0.271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No