Information card for entry 7103576

Structure parameters

• Formula: C80 H64 Cl6 N8 O6
• Calculated formula: C80 H64 Cl6 N8 O6
• Title of publication: Triptycene-based tetralactam macrocycles: synthesis, structure and complexation with squaraine.
• Authors of publication: Xue, Min; Chen, Chuan-Feng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 46
• Pages of publication: 6128 - 6130
• a: 10.589 ± 0.003 Å
• b: 13.76 ± 0.004 Å
• c: 24.086 ± 0.008 Å
• α: 89.709 ± 0.009°
• β: 88.57 ± 0.01°
• γ: 78.582 ± 0.008°
• Cell volume: 3438.9 ± 1.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1994
• Weighted residual factors for all reflections included in the refinement: 0.2346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No