Information card for entry 4036879

Structure parameters

• Formula: C52 H58 K2 N2 O17
• Calculated formula: C52 H58 K2 N2 O17
• Title of publication: Regioselective Hydrolysis and Transesterification of Dimethyl 3-Benzamidophthalates Assisted by a Neighboring Amide Group.
• Authors of publication: Krivec, Marko; Perdih, Franc; Košmrlj, Janez; Kočevar, Marijan
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 13
• Pages of publication: 5732 - 5739
• a: 14.8093 ± 0.0006 Å
• b: 15.1888 ± 0.0008 Å
• c: 15.3003 ± 0.0005 Å
• α: 112.578 ± 0.004°
• β: 103.373 ± 0.003°
• γ: 110.69 ± 0.004°
• Cell volume: 2691.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No