Information card for entry 7153525

Structure parameters

• Common name: tris(8-quinolinylmethyl)cyclotriguaiacylene) aceonitrile solvate
• Formula: C58 H51 N5 O6
• Calculated formula: C58 H51 N5 O6
• Title of publication: Building blocks for cyclotriveratrylene-based coordination networks
• Authors of publication: Hardie, Michaele J.; Mills, Rachael M.; Sumby, Christopher J.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 20
• Pages of publication: 2958 - 2964
• a: 12.036 ± 0.002 Å
• b: 12.09 ± 0.002 Å
• c: 18.469 ± 0.004 Å
• α: 104.18 ± 0.03°
• β: 98.27 ± 0.03°
• γ: 109.89 ± 0.03°
• Cell volume: 2372.9 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0799
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No