Information card for entry 7227255

Structure parameters

• Formula: C22 H26 N4 O2
• Calculated formula: C22 H26 N4 O2
• SMILES: CN1[C@H](C(=Nc2ccccc12)C1=Nc2ccccc2N(C)[C@@H]1OCC)OCC
• Title of publication: A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.
• Authors of publication: Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 6981 - 6988
• a: 8.829 ± 0.0011 Å
• b: 11.313 ± 0.0016 Å
• c: 10.403 ± 0.0013 Å
• α: 90°
• β: 107.834 ± 0.009°
• γ: 90°
• Cell volume: 989.1 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No