Information card for entry 4083700

Structure parameters

• Formula: C32 H24 F12 N2 O2
• Calculated formula: C32 H24 F12 N2 O2
• SMILES: N(=C(\CC(O)(C(F)(F)F)C(F)(F)F)C)/c1ccc2ccccc2c1c1c(/N=C(CC(O)(C(F)(F)F)C(F)(F)F)\C)ccc2ccccc12
• Title of publication: Aluminum, Indium, and Mixed Yttrium‒Lithium Complexes Supported by a Chiral Binap-Based Fluorinated Dialkoxide: Structural Features and Heteroselective ROP of Lactide
• Authors of publication: Maudoux, Nicolas; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5740
• a: 11.3536 ± 0.0013 Å
• b: 18.838 ± 0.002 Å
• c: 14.376 ± 0.0018 Å
• α: 90°
• β: 90.602 ± 0.007°
• γ: 90°
• Cell volume: 3074.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1288
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.2107
• Weighted residual factors for all reflections included in the refinement: 0.2541
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No