Information card for entry 7227252

Structure parameters

• Formula: C18 H18 N4 O2
• Calculated formula: C18 H18 N4 O2
• SMILES: CN1[C@H](C(=Nc2c1cccc2)C1=Nc2ccccc2N(C)[C@@H]1O)O
• 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: 5.8457 ± 0.0006 Å
• b: 13.5935 ± 0.0014 Å
• c: 9.8497 ± 0.0011 Å
• α: 90°
• β: 98.476 ± 0.009°
• γ: 90°
• Cell volume: 774.14 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No