Information card for entry 4029900

Structure parameters

• Formula: C48 H56 N2 O7
• Calculated formula: C48 H56 N2 O7
• Title of publication: Incorporation of Three or Two Distal Double Bonds at the Methylene Bridges of the Calix[4]arene Scaffold.
• Authors of publication: Shalev, Ori; Biali, Silvio E.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 18
• Pages of publication: 8584 - 8591
• a: 9.731 ± 0.003 Å
• b: 9.869 ± 0.002 Å
• c: 12.3 ± 0.002 Å
• α: 71.031 ± 0.002°
• β: 73.507 ± 0.002°
• γ: 78.962 ± 0.003°
• Cell volume: 1064.7 ± 0.4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0943
• Weighted residual factors for significantly intense reflections: 0.1947
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No