Information card for entry 4105188

Structure parameters

• Formula: C120 H85 F36 N12 O18.5
• Calculated formula: C120 H84 F22.8 N12 O18.5
• Title of publication: Ring-Opening Polymerization of l-Lactide Efficiently Triggered by an Amido-Indole. X-ray Structure of a Complex betweenl-Lactide and the Hydrogen-Bonding Organocatalyst
• Authors of publication: Sylvain Koeller; Joji Kadota; Alain Deffieux; Frédéric Peruch; Stéphane Massip; Jean-Michel Léger; Jean-Pierre Desvergne; Brigitte Bibal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15088 - 15089
• a: 11.5072 ± 0.0006 Å
• b: 16.0988 ± 0.0008 Å
• c: 17.1281 ± 0.0008 Å
• α: 76.541 ± 0.003°
• β: 72.712 ± 0.003°
• γ: 77.066 ± 0.004°
• Cell volume: 2905.3 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2294
• Residual factor for significantly intense reflections: 0.1435
• Weighted residual factors for significantly intense reflections: 0.37
• Weighted residual factors for all reflections included in the refinement: 0.4685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No