Information card for entry 2015364

Structure parameters

• Chemical name: (6RS,13RS)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa- 4,11-diazacyclotetradecane-2,5,9,12-tetraone
• Formula: C26 H30 N2 O6
• Calculated formula: C26 H30 N2 O6
• SMILES: O=C1OC[C@H](C(=O)NC(C)(C)C(=O)OC[C@H](C(=O)NC1(C)C)c1ccccc1)c1ccccc1.O=C1OC[C@@H](C(=O)NC(C)(C)C(=O)OC[C@@H](C(=O)NC1(C)C)c1ccccc1)c1ccccc1
• Title of publication: <i>cis</i>-(6<i>RS</i>,13<i>RS</i>)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetraone and two of its precursors
• Authors of publication: Linden, Anthony; Iliev, Boyan; Heimgartner, Heinz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o339 - o343
• a: 15.9437 ± 0.0002 Å
• b: 19.1979 ± 0.0004 Å
• c: 11.2587 ± 0.0002 Å
• α: 90°
• β: 132.918 ± 0.0007°
• γ: 90°
• Cell volume: 2523.69 ± 0.08 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes