Information card for entry 7211215

Structure parameters

• Formula: C24 H20 N6 O2
• Calculated formula: C24 H20 N6 O2
• SMILES: c1(ccccc1/C=N/Nc1cc(nc(c2ccccc2)n1)N/N=C/c1ccccc1O)O
• Title of publication: Tuning the planarity of [2 ×2] grids
• Authors of publication: Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 44
• Pages of publication: 9128
• a: 24.152 ± 0.005 Å
• b: 8.23 ± 0.0016 Å
• c: 23.368 ± 0.005 Å
• α: 90°
• β: 115.92 ± 0.03°
• γ: 90°
• Cell volume: 4177.6 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1688
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No