Information card for entry 4030007

Structure parameters

• Formula: C18 H23 Cl3 N O6 P
• Calculated formula: C18 H23 Cl3 N O6 P
• Title of publication: Further Evidence on the Favorable Role of the Anomeric Effect on the Cleavage of HepDirect and Cyclophosphamide Prodrugs.
• Authors of publication: Sartillo-Piscil, Fernando; Quintero, Leticia; Cruz-Gregorio, Silvano; Espinosa-Aguirre, Javier; Elinos-Baez, Carmen M; Höpfl, Herbert; Serrano, Abel
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 20
• Pages of publication: 9647 - 9654
• a: 11.2788 ± 0.0011 Å
• b: 12.8154 ± 0.0013 Å
• c: 14.632 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2114.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No