Information card for entry 1546356

Structure parameters

• Formula: C14 H26 N2 O6
• Calculated formula: C14 H26 N2 O6
• SMILES: O(C(=O)[C@@H](NC(=O)OC(C)(C)C)CCCN(=O)=O)C(C)(C)C
• Title of publication: Chemoselective Nitrile Oxide-Alkyne 1,3-Dipolar Cycloaddition Reactions from Nitroalkane-Tethered Peptides.
• Authors of publication: Reja, Rahi M.; Sunny, Sereena; Gopi, Hosahudya N.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 3572 - 3575
• a: 9.289 ± 0.004 Å
• b: 20.701 ± 0.008 Å
• c: 10.602 ± 0.006 Å
• α: 90°
• β: 115.928 ± 0.01°
• γ: 90°
• Cell volume: 1833.5 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2068
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No