Information card for entry 2202405

Structure parameters

• Chemical name: tert-Butyl (2R)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-iodopropionate
• Formula: C22 H24 I N O4
• Calculated formula: C22 H24 I N O4
• SMILES: IC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1c2c(c3c1cccc3)cccc2
• Title of publication: <i>tert</i>-Butyl (2<i>R</i>)-2-(9<i>H</i>-Fluoren-9-ylmethoxycarbonylamino)-3-iodopropionate
• Authors of publication: Clegg, William; Horsburgh, Lynne
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1925 - o1926
• a: 9.2875 ± 0.0007 Å
• b: 12.3181 ± 0.0009 Å
• c: 18.9028 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2162.6 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes