Information card for entry 4032024

Structure parameters

• Formula: C40 H40 O8
• Calculated formula: C40 H48 O8
• SMILES: O(c1c(c(OC)c2cc1Cc1c(OC)c(c(OC)c(c1)Cc1c(OC)c(c(OC)c(c1)Cc1c(OC)c(c(OC)c(c1)C2)C)C)C)C)C
• Title of publication: Improved Synthesis of Larger Resorcinarenes.
• Authors of publication: Della Sala, Paolo; Gaeta, Carmine; Navarra, Wanda; Talotta, Carmen; De Rosa, Margherita; Brancatelli, Giovanna; Geremia, Silvano; Capitelli, Francesco; Neri, Placido
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 13
• Pages of publication: 5726 - 5731
• a: 8.864 ± 0.003 Å
• b: 51.49 ± 0.04 Å
• c: 7.808 ± 0.003 Å
• α: 90°
• β: 100.81 ± 0.03°
• γ: 90°
• Cell volume: 3500 ± 3 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: 0.2888
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2078
• Weighted residual factors for all reflections included in the refinement: 0.2821
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No