Information card for entry 7204949

Structure parameters

• Chemical name: 1 ?
• Formula: C35 H28 O3
• Calculated formula: C35 H28 O3
• Title of publication: Guest exchange and competition in inclusion compounds
• Authors of publication: Caira, Mino R.; Nassimbeni, Luigi R.; Vujovic, Dejana; Weber, Edwin
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 861
• a: 8.6441 ± 0.0005 Å
• b: 12.3085 ± 0.0008 Å
• c: 13.7443 ± 0.0009 Å
• α: 109.514 ± 0.003°
• β: 94.46 ± 0.003°
• γ: 104.182 ± 0.003°
• Cell volume: 1315.79 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No