Information card for entry 4115684

Structure parameters

• Formula: C33 H33 N3 O9
• Calculated formula: C33 H33 N3 O9
• Title of publication: Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters1
• Authors of publication: Dana L. Caulder; Christian Brückner; Ryan E. Powers; Stefan König; Tatjana N. Parac; Julie A. Leary; Kenneth N. Raymond
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 8923 - 8938
• a: 15.406 ± 0.007 Å
• b: 7.264 ± 0.005 Å
• c: 26.48 ± 0.01 Å
• α: 90°
• β: 95.23 ± 0.05°
• γ: 90°
• Cell volume: 2951 ± 3 ų
• Cell temperature: 157.2 K
• Ambient diffraction temperature: 157.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1964
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.415
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No