Information card for entry 2202649

Structure parameters

• Chemical name: Di-tert-butyl 2-(tert-butyloxycarbonylmethoxy)phenyliminodiacetate
• Formula: C24 H37 N O7
• Calculated formula: C24 H37 N O7
• SMILES: C(C(=O)OC(C)(C)C)N(c1ccccc1OCC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
• Title of publication: Di-<i>tert</i>-butyl 2-(<i>tert</i>-butyloxycarbonylmethoxy)phenyliminodiacetate
• Authors of publication: Rademeyer, Melanie; Barkhuizen, David A.; Maguire, Glenn E.M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1650 - o1652
• a: 8.559 ± 0.005 Å
• b: 11.192 ± 0.004 Å
• c: 13.689 ± 0.005 Å
• α: 106.03 ± 0.03°
• β: 96.27 ± 0.04°
• γ: 96.89 ± 0.04°
• Cell volume: 1237.2 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0517
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes