Information card for entry 1507125

Structure parameters

• Formula: C15 H24 N2 O5
• Calculated formula: C15 H24 N2 O5
• SMILES: O=C(OCC)c1[nH]c(c(c1OC)C)CNC(=O)OC(C)(C)C
• Title of publication: Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).
• Authors of publication: Bonauer, Christoph; Zabel, Manfred; König, Burkhard
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 1349 - 1352
• a: 11.9505 ± 0.0008 Å
• b: 9.4792 ± 0.0008 Å
• c: 15.5098 ± 0.001 Å
• α: 90°
• β: 102.832 ± 0.008°
• γ: 90°
• Cell volume: 1713.1 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No