Information card for entry 7021344

Structure parameters

• Formula: C52 H48 F4 N4
• Calculated formula: C52 H48 F4 N4
• SMILES: c1(cc(F)cc(CN2CCN(CCN(CCN(CC2)Cc2c3ccccc3cc3ccccc23)Cc2cc(cc(F)c2)F)Cc2c3ccccc3cc3ccccc23)c1)F
• Title of publication: Argentivorous molecules with two kinds of aromatic side-arms: intramolecular competition between side-arms.
• Authors of publication: Habata, Yoichi; Oyama, Yosuke; Ikeda, Mari; Kuwahara, Shunsuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 8212 - 8217
• a: 8.8124 ± 0.0008 Å
• b: 9.6778 ± 0.0009 Å
• c: 13.3655 ± 0.0012 Å
• α: 86.321 ± 0.002°
• β: 71.759 ± 0.002°
• γ: 63.608 ± 0.002°
• Cell volume: 965.98 ± 0.15 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No