Information card for entry 4023441

Structure parameters

• Common name: trans,trans 1,3-bis-styrylepoxycalix[4]arene
• Chemical name: 5,17-bis-[(2R,3R)-3-phenyl-2-oxiranyl)-25,26,27,28-tetrapropyloxycalix[4]arene
• Formula: C56 H60 O6
• Calculated formula: C56 H60 O6
• Title of publication: Novel Chiral Calix[4]arenes by Direct Asymmetric Epoxidation Reaction
• Authors of publication: Carlo Bonini; Lucia Chiummiento; Maria Funicello; Maria Teresa Lopardo; Paolo Lupattelli; Alessandro Laurita; Andrea Cornia
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 4233 - 4236
• a: 25.7719 ± 0.0003 Å
• b: 9.74588 ± 0.00016 Å
• c: 18.1938 ± 0.0002 Å
• α: 90°
• β: 95.8354 ± 0.0012°
• γ: 90°
• Cell volume: 4546.05 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No