Information card for entry 4113110

Structure parameters

• Formula: C44 H40 O4
• Calculated formula: C44 H40 O4
• Title of publication: A New Convergent Strategy for the Synthesis of Calixarenes via a Triple Annulation of Fischer Carbene Complexes
• Authors of publication: Vijay Gopalsamuthiram; William D. Wulff
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 13936 - 13937
• a: 12.899 ± 0.003 Å
• b: 16.405 ± 0.003 Å
• c: 15.888 ± 0.003 Å
• α: 90°
• β: 97.61 ± 0.03°
• γ: 90°
• Cell volume: 3332.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1374
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No