Information card for entry 1506460

Structure parameters

• Formula: C17 H22 N2 O6
• Calculated formula: C17 H22 N2 O6
• Title of publication: Reactivity of Mitsunobu reagent toward carbonyl compounds.
• Authors of publication: Otte, Ryan D.; Sakata, Tomoyo; Guzei, Ilia A.; Lee, Daesung
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 495 - 498
• a: 9.0221 ± 0.0009 Å
• b: 12.5961 ± 0.0012 Å
• c: 16.13 ± 0.0016 Å
• α: 83.714 ± 0.002°
• β: 79.252 ± 0.002°
• γ: 84.161 ± 0.002°
• Cell volume: 1783.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No