Information card for entry 2237603

Structure parameters

• Common name: N-Boc-L-pyroglutamic acid ethyl ester
• Chemical name: <i>N</i>-Butoxycarbonyl-5-oxo-<i>L</i>-proline ethyl ester
• Formula: C12 H19 N O5
• Calculated formula: C12 H19 N O5
• SMILES: O(C(=O)[C@H]1N(C(=O)CC1)C(=O)OC(C)(C)C)CC
• Title of publication: <i>N</i>-Butoxycarbonyl-5-oxo-<small>L</small>-proline ethyl ester
• Authors of publication: Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R.V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o567 - o568
• a: 26.6884 ± 0.0013 Å
• b: 5.765 ± 0.0003 Å
• c: 8.7054 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1339.4 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes