Information card for entry 2204975

Structure parameters

• Formula: C32 H44 N6 O8 S2
• Calculated formula: C32 H44 N6 O8 S2
• SMILES: S(=O)(C)C.S(=O)(C)C.O(C(C)(C)C)C(=O)Nc1nc(NC(=O)c2ccc(cc2)C(=O)Nc2nc(NC(=O)OC(C)(C)C)ccc2)ccc1
• Title of publication: <i>N,N</i>'-Bis(6-<i>tert</i>-butoxycarbonylamino-2-pyridyl)terephthalamide dimethyl sulfoxide disolvate
• Authors of publication: Ohba, Shigeru; Miyamoto, Hisakazu; Fujioka, Atsushi; Ikeuchi, Takahiro; Jean-Marie Lehn
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o182 - o184
• a: 16.597 ± 0.003 Å
• b: 22.522 ± 0.003 Å
• c: 9.871 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3689.8 ± 1.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes