Information card for entry 1503835

Structure parameters

• Formula: C37 H45 Cl3 I2 N2 O2
• Calculated formula: C37 H45 Cl3 I2 N2 O2
• Title of publication: Unusual mechanistic course of some NHC-mediated transesterifications.
• Authors of publication: Pignataro, Luca; Papalia, Teresa; Slawin, Alexandra M. Z.; Goldup, Stephen M.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1643 - 1646
• a: 19.8903 ± 0.0008 Å
• b: 16.9211 ± 0.0007 Å
• c: 25.5102 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8585.9 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.309
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No