Information card for entry 7109256

Structure parameters

• Formula: C26 H32 N2 O2
• Calculated formula: C26 H32 N2 O2
• SMILES: c1(ccncc1)c1c(cc(c(c1)OC[C@H](CC)C)c1ccncc1)OC[C@@H](C)CC
• 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: 6.4044 ± 0.0005 Å
• b: 9.3965 ± 0.0006 Å
• c: 10.5878 ± 0.0007 Å
• α: 65.76 ± 0.003°
• β: 86.256 ± 0.003°
• γ: 84.669 ± 0.003°
• Cell volume: 578.21 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.205
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No