Information card for entry 2223740

Structure parameters

• Chemical name: <i>N</i>-(Fluoren-9-ylmethoxycarbonyl)-L-aspartic acid 4-<i>tert</i>-butyl ester
• Formula: C23 H25 N O6
• Calculated formula: C23 H25 N O6
• SMILES: O=C(OC(C)(C)C)C[C@H](NC(=O)OCC1c2ccccc2c2ccccc12)C(=O)O
• Title of publication: <i>N</i>-(Fluoren-9-ylmethoxycarbonyl)-<small>L</small>-aspartic acid 4-<i>tert</i>-butyl ester
• Authors of publication: Yamada, Kazuhiko; Hashizume, Daisuke; Shimizu, Tadashi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2606 - o2607
• a: 5.7166 ± 0.0004 Å
• b: 11.1175 ± 0.001 Å
• c: 32.083 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2039 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0785
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes