Information card for entry 7062048

Structure parameters

• Chemical name: (5S,11S)-6H,12H-5,11-ethano dibenzo[b,f][1,5]diazocine . (-)-O,O'-Dibenzoyl-L-tartaric acid
• Formula: C37 H36 N2 O9
• Calculated formula: C37 H36 N2 O9
• Title of publication: A nitrogen-based chiral catenane for enantioenriching photocatalytic aerobic oxidation
• Authors of publication: Kazem-Rostami, Masoud
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 45
• Pages of publication: 21898 - 21905
• a: 11.3175 ± 0.0001 Å
• b: 11.8653 ± 0.0001 Å
• c: 25.2383 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3389.14 ± 0.05 ų
• Cell temperature: 199.91 ± 0.17 K
• Ambient diffraction temperature: 199.91 ± 0.17 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No