Information card for entry 1504495

Structure parameters

• Formula: C67 H72 Cl2
• Calculated formula: C67 H72 Cl2
• Title of publication: Duplexiphane: a polyaromatic receptor containing two adjoined Delta-shaped cavities for an efficient hopping of a single silver cation.
• Authors of publication: Emond, Susanna J.; Debroy, Paromita; Rathore, Rajendra
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 389 - 392
• a: 10.852 ± 0.004 Å
• b: 11.568 ± 0.004 Å
• c: 12.042 ± 0.004 Å
• α: 102.747 ± 0.005°
• β: 112.214 ± 0.005°
• γ: 90.649 ± 0.005°
• Cell volume: 1357.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1199
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No