Information card for entry 1505581

Structure parameters

• Formula: C10 H12 Cl N O
• Calculated formula: C10 H12 Cl N O
• SMILES: ClC[C@H](NC(=O)C)c1ccccc1
• 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: 5.1439 ± 0.0005 Å
• b: 12.3424 ± 0.0012 Å
• c: 15.4385 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 980.16 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No