Information card for entry 7206306

Structure parameters

• Common name: Diethyl N,N'-(1,3-(5-tert-buthyl-2- methoxy)phenylene)dioxamalate
• Chemical name: Diethyl N,N'-(1,3-(5-tert-buthyl-2- methoxy)phenylene)dioxamalate
• Formula: C19 H26 N2 O7
• Calculated formula: C19 H26 N2 O7
• Title of publication: Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints
• Authors of publication: González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 4748
• a: 9.964 ± 0.0003 Å
• b: 10.218 ± 0.0003 Å
• c: 10.579 ± 0.0004 Å
• α: 80.969 ± 0.002°
• β: 87.691 ± 0.002°
• γ: 87.649 ± 0.001°
• Cell volume: 1062.2 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1121
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2147
• Weighted residual factors for all reflections included in the refinement: 0.2484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No