Information card for entry 7227254

Structure parameters

• Formula: C26 H34 N4 O4
• Calculated formula: C26 H34 N4 O4
• SMILES: CN1c2c(cccc2)N=C([C@@H]1OCCOCC)C1=Nc2ccccc2N(C)[C@@H]1OCCOCC
• 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: 8.6751 ± 0.0008 Å
• b: 11.2503 ± 0.001 Å
• c: 13.3424 ± 0.001 Å
• α: 90°
• β: 94.681 ± 0.007°
• γ: 90°
• Cell volume: 1297.84 ± 0.19 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 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: 0.0819
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No