Information card for entry 7109260

Structure parameters

• Formula: C22 H24 N2 O4
• Calculated formula: C22 H24 N2 O4
• SMILES: c1(cc(c(cc1OC[C@H](O)C)c1ccncc1)OC[C@H](O)C)c1ccncc1
• Title of publication: Molecular tectonics: homochiral 3D cuboid coordination networks based on enantiomerically pure organic tectons and ZnSiF6
• Authors of publication: Patrick Larpent; Abdelaziz Jouaiti; Nathalie Kyritsakasa; Mir Wais Hosseini
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4468
• a: 10.971 ± 0.0007 Å
• b: 7.7678 ± 0.0004 Å
• c: 11.9253 ± 0.0008 Å
• α: 90°
• β: 104.942 ± 0.001°
• γ: 90°
• Cell volume: 981.92 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No