Information card for entry 4023902

Structure parameters

• Formula: C27 H37 N O4
• Calculated formula: C27 H37 N O4
• SMILES: [C@H]1(CC[C@H](C[C@H]1OC(=O)[C@H](Cc1ccc(cc1)OC)Nc1c(cccc1)OC)C)C(C)C
• Title of publication: Convenient Synthetic Route to an Enantiomerically Pure FMOC α-Amino Acid
• Authors of publication: Douglass F. Taber; James F. Berry; Timothy J. Martin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 9334 - 9339
• a: 8.9746 ± 0.0017 Å
• b: 21.82 ± 0.004 Å
• c: 24.89 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4874.3 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No