Information card for entry 1505583

Structure parameters

• Formula: C14 H20 Cl N O8
• Calculated formula: C14 H20 Cl N O8
• SMILES: Cl[C@@H]1[C@H](O[C@@H]([C@@H](OC(=O)C)[C@@H]1OC(=O)C)COC(=O)C)NC(=O)C
• Title of publication: New method for chloroamidation of olefins. Application in the synthesis of N-glycopeptides and anticancer agents.
• Authors of publication: Rawal, Girish K.; Kumar, Amit; Tawar, Urmila; Vankar, Yashwant D.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 25
• Pages of publication: 5171 - 5174
• a: 9.3175 ± 0.0008 Å
• b: 16.5043 ± 0.0013 Å
• c: 12.3112 ± 0.001 Å
• α: 90°
• β: 109.498 ± 0.002°
• γ: 90°
• Cell volume: 1784.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No