Information card for entry 7111588

Structure parameters

• Formula: C42 H58 N2 O3 Zn
• Calculated formula: C42 H58 N2 O3 Zn
• Title of publication: Efficient carbonate synthesis under mild conditions through cycloaddition of carbon dioxide to oxiranes using a Zn(salphen) catalyst
• Authors of publication: Decortes, Antonello; Martínez Belmonte, Marta; Benet-Buchholz, Jordi; Kleij, Arjan W.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 4580 - 4582
• a: 12.986 ± 0.0005 Å
• b: 25.1822 ± 0.0009 Å
• c: 11.9067 ± 0.0005 Å
• α: 90°
• β: 94.087 ± 0.002°
• γ: 90°
• Cell volume: 3883.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No