Information card for entry 2221471

Structure parameters

• Chemical name: Di-<i>tert</i>-butyl <i>N</i>-[2,6-bis(methoxymethoxy)phenyl]iminodiacetate
• Formula: C20 H31 N O8
• Calculated formula: C20 H31 N O8
• SMILES: O(c1c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(OCOC)ccc1)COC
• Title of publication: Di-<i>tert</i>-butyl <i>N</i>-[2,6-bis(methoxymethoxy)phenyl]iminodiacetate
• Authors of publication: Capuano, Ben; Crosby, Ian T.; Forsyth, Craig M.; Khakham, Yelena; Manallack, David T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o819
• a: 11.2544 ± 0.0003 Å
• b: 19.6759 ± 0.0006 Å
• c: 9.8325 ± 0.0003 Å
• α: 90°
• β: 93.207 ± 0.001°
• γ: 90°
• Cell volume: 2173.9 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.042
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes