Information card for entry 1553943

Structure parameters

• Formula: C83 H54 Cl2 N2 O2
• Calculated formula: C83 H54 Cl2 N2 O2
• Title of publication: A diversity-oriented synthesis of cyclopenta[b]pyrroles and related compounds through a calcium(ii)/copper(ii) catalytic sequence
• Authors of publication: Marin, L.; Guillot, R.; Gandon, V.; Schulz, E.; Lebœuf, D.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 640
• a: 9.6948 ± 0.0002 Å
• b: 10.6078 ± 0.0003 Å
• c: 14.8224 ± 0.0004 Å
• α: 105.266 ± 0.001°
• β: 103.77 ± 0.002°
• γ: 93.623 ± 0.002°
• Cell volume: 1415.35 ± 0.07 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2379
• Weighted residual factors for all reflections included in the refinement: 0.2508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No