Information card for entry 7206310

Structure parameters

• Chemical name: N,N'-Bis-[2-(2-(2-hydroxyethoxy)ethylamino) oxalyl]-1,3-(2,4,6-trimethyl)phenylenediamine
• Formula: C21 H32 N4 O8
• Calculated formula: C21 H32 N4 O8
• 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: 11.4567 ± 0.0006 Å
• b: 12.905 ± 0.0007 Å
• c: 16.4558 ± 0.001 Å
• α: 90°
• β: 101.828 ± 0.002°
• γ: 90°
• Cell volume: 2381.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.816
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No