Information card for entry 7204950

Structure parameters

• Chemical name: 2 ?
• Formula: C34 H28 O3 S
• Calculated formula: C34 H22 O3 S
• 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: 8.5651 ± 0.0003 Å
• b: 12.4402 ± 0.0004 Å
• c: 13.8939 ± 0.0003 Å
• α: 109.148 ± 0.002°
• β: 93.849 ± 0.002°
• γ: 104.62 ± 0.001°
• Cell volume: 1334.91 ± 0.07 ų
• Cell temperature: 293 ± 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: 0.0642
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No