Information card for entry 7204952

Structure parameters

• Chemical name: 4 ?
• Formula: C38 H38 O4
• Calculated formula: C19 H19 O2
• 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: 8.348 ± 0.001 Å
• b: 9.227 ± 0.001 Å
• c: 10.369 ± 0.002 Å
• α: 96.095 ± 0.008°
• β: 96.159 ± 0.008°
• γ: 106.679 ± 0.007°
• Cell volume: 752.77 ± 0.19 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: 0.1041
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No