Information card for entry 1515394

Structure parameters

• Formula: C45.34 H36.68 Cl2.68 N8 O2 S12
• Calculated formula: C45.34 H36.68 Cl2.68 N8 O2 S12
• Title of publication: Fused glycoluril-tetrathiafulvalene molecular clips as receptors for neutral electron acceptor guests.
• Authors of publication: Cotelle, Yoann; Allain, Magali; Legoupy, Stéphanie; Hudhomme, Piétrick
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 2590 - 2593
• a: 8.2764 ± 0.0006 Å
• b: 17.108 ± 0.002 Å
• c: 20.28 ± 0.002 Å
• α: 71.044 ± 0.006°
• β: 86.04 ± 0.01°
• γ: 86.672 ± 0.008°
• Cell volume: 2707.4 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No