Information card for entry 1553957

Structure parameters

• Formula: C50.5 H49 Cl I N3 O5
• Calculated formula: C50.5 H49 Cl I N3 O5
• Title of publication: An uncommon multicomponent reaction involving nucleophilic heterocyclic carbenes: facile synthesis of fully substituted cyclopentanones
• Authors of publication: Krishnan, Jagadeesh; Jose, Anu; Sasidhar, B. S.; Suresh, E.; Menon, Rajeev S.; Nair, Vijay
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 1202
• a: 29.069 ± 0.003 Å
• b: 16.647 ± 0.0018 Å
• c: 23.834 ± 0.003 Å
• α: 90°
• β: 124.203 ± 0.002°
• γ: 90°
• Cell volume: 9538.8 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No