Information card for entry 4508489

Structure parameters

• Common name: CC12
• Formula: C180 H156 N20
• Calculated formula: C180 H156 N20
• Title of publication: Shape Prediction for Supramolecular Organic Nanostructures: [4 + 4] Macrocyclic Tetrapods
• Authors of publication: Briggs, Michael E.; Jelfs, Kim E.; Chong, Samantha Y.; Lester, Catherine; Schmidtmann, Marc; Adams, Dave J.; Cooper, Andrew I.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 4993
• a: 22.33972 ± 0.00017 Å
• b: 13.38025 ± 0.00016 Å
• c: 27.06738 ± 0.0003 Å
• α: 90°
• β: 91.1243 ± 0.00079°
• γ: 90°
• Cell volume: 8089.18 ± 0.15 ų
• Cell temperature: 363 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.016
• Goodness-of-fit parameter for all reflections: 1.88
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.825556 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No