Information card for entry 2017607

Structure parameters

• Chemical name: Tri-<i>tert</i>-butyl 3-oxo-4-oxa-1,8,11-triazaspiro[5.6]dodecane-1,8,11-triacetate
• Formula: C26 H45 N3 O8
• Calculated formula: C26 H45 N3 O8
• SMILES: O=C1OCC2(N(C1)CC(=O)OC(C)(C)C)CN(CCN(C2)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
• Title of publication: Tri-<i>tert</i>-butyl 3-oxo-4-oxa-1,8,11-triazaspiro[5.6]dodecane-1,8,11-triacetate
• Authors of publication: Sengar, Raghvendra Singh; Geib, Steven J.; Nigam, Archana; Wiener, Erik C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o174 - o175
• a: 11.1304 ± 0.0017 Å
• b: 15.25 ± 0.002 Å
• c: 18.098 ± 0.003 Å
• α: 99.305 ± 0.004°
• β: 90.01 ± 0.003°
• γ: 100.168 ± 0.003°
• Cell volume: 2982.6 ± 0.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.092
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes