Information card for entry 4311735

Structure parameters

• Formula: C36 H57 B Ca N6 O2
• Calculated formula: C36 H56.394 B Ca N6 O2
• Title of publication: Well-Defined Calcium Initiators for Lactide Polymerization
• Authors of publication: Malcolm H. Chisholm; Judith C. Gallucci; Khamphee Phomphrai
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6717 - 6725
• a: 10.4818 ± 0.0001 Å
• b: 20.6823 ± 0.0002 Å
• c: 18.0627 ± 0.0002 Å
• α: 90°
• β: 101.351 ± 0.001°
• γ: 90°
• Cell volume: 3839.18 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections: 0.1263
• Weighted residual factors for significantly intense reflections: 0.1167
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No