Information card for entry 2214830

Structure parameters

• Chemical name: 2,8,14,20-<i>para-</i>Methoxytetraphenylpyrogallol[4]arene dimethylformamide hexasolvate
• Formula: C74 H90 N6 O22
• Calculated formula: C74 H90 N6 O22
• SMILES: COc1ccc(cc1)[C@@H]1c2cc([C@H](c3ccc(cc3)OC)c3cc([C@H](c4cc([C@H](c5cc1c(O)c(c5O)O)c1ccc(cc1)OC)c(O)c(c4O)O)c1ccc(cc1)OC)c(c(c3O)O)O)c(c(c2O)O)O.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: 2,8,14,20-<i>para-</i>Methoxytetraphenylpyrogallol[4]arene dimethylformamide hexasolvate
• Authors of publication: Zambrano, Cesar; Thomas, Ray E.; Zeller, Matthias; Salvatore, Ralph N.; Dueno, Eric E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3452 - o3453
• a: 10.8399 ± 0.0006 Å
• b: 11.6307 ± 0.0007 Å
• c: 15.3585 ± 0.0009 Å
• α: 73.48 ± 0.001°
• β: 73.554 ± 0.001°
• γ: 73.003 ± 0.001°
• Cell volume: 1732.56 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0598
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes