Information card for entry 7132917

Structure parameters

• Formula: C31 H29 N O5
• Calculated formula: C31 H29 N O5
• Title of publication: Hydrogen bonding-promoted tunable approach for access to aza-bicyclo-[3.3.0]octanes and cyclopenta[<i>b</i>] pyrroles.
• Authors of publication: Pramanik, Sourav; Hazra, Subhadeep; Chatterjee, Ayan; Saha, Jaideep
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 37
• Pages of publication: 4922 - 4925
• a: 10.8447 ± 0.0008 Å
• b: 11.198 ± 0.0008 Å
• c: 12.0881 ± 0.001 Å
• α: 101.529 ± 0.003°
• β: 90.637 ± 0.003°
• γ: 113.153 ± 0.003°
• Cell volume: 1315.93 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No