Information card for entry 4324880

Structure parameters

• Common name: Compound X
• Formula: C24 H46 N3 Na O
• Calculated formula: C24 H46 N3 Na O
• SMILES: [Na]12(Oc3c(cc(cc3C(C)(C)C)C)C(C)(C)C)[N](CC[N]1(C)CC[N]2(C)C)(C)C
• Title of publication: Polyamine-Stabilized Sodium Aryloxides: Simple Initiators for the Ring-Opening Polymerization of rac-Lactide
• Authors of publication: Beatriz Calvo; Matthew G. Davidson; Daniel García-Vivó
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3589 - 3595
• a: 10.148 ± 0.0004 Å
• b: 15.606 ± 0.0006 Å
• c: 17.101 ± 0.0007 Å
• α: 90°
• β: 94.186 ± 0.002°
• γ: 90°
• Cell volume: 2701.06 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1344
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No