Information card for entry 1505586

Structure parameters

• Formula: C27 H30 Cl N O4
• Calculated formula: C27 H30 Cl N O4
• SMILES: [C@@H]1([C@H]([C@H]([C@@H]([C@@H](COCc2ccccc2)O1)OCc1ccccc1)OCc1ccccc1)Cl)N
• 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: 12.532 ± 0.003 Å
• b: 21.325 ± 0.004 Å
• c: 19.032 ± 0.004 Å
• α: 90°
• β: 109.06 ± 0.03°
• γ: 90°
• Cell volume: 4807 ± 2 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: 0.1359
• Residual factor for significantly intense reflections: 0.1181
• Weighted residual factors for significantly intense reflections: 0.2518
• Weighted residual factors for all reflections included in the refinement: 0.2598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No