Information card for entry 7108069

Structure parameters

• Formula: C112 H92 Cl12 O12
• Calculated formula: C112 H92 Cl12 O12
• Title of publication: A tubular macrocycle from covalently linked anthracenes and meta-phenylene spacers
• Authors of publication: Keita Hagiwara; Yoshihisa Sei; Munetaka Akita; Michito Yoshizawa
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7678
• a: 9.2507 ± 0.0013 Å
• b: 15.609 ± 0.002 Å
• c: 17.265 ± 0.002 Å
• α: 95.404 ± 0.002°
• β: 102.159 ± 0.002°
• γ: 90.147 ± 0.002°
• Cell volume: 2425.6 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.112
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2378
• Weighted residual factors for all reflections included in the refinement: 0.2598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No