Information card for entry 4032023

Structure parameters

• Formula: C60 H72 O12
• Calculated formula: C60 H72 O12
• SMILES: c1(c(c2cc(c1OC)Cc1c(c(c(c(c1)Cc1cc(c(c(c1OC)C)OC)Cc1cc(c(c(c1OC)C)OC)Cc1c(c(c(c(c1)Cc1c(c(c(c(c1)C2)OC)C)OC)OC)C)OC)OC)C)OC)OC)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: 13.48 ± 0.002 Å
• b: 15.127 ± 0.0001 Å
• c: 25.768 ± 0.0001 Å
• α: 90°
• β: 96.565 ± 0.003°
• γ: 90°
• Cell volume: 5219.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0591
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.8 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No