Information card for entry 4131791

Structure parameters

• Formula: C195.55 H195.55 Cl10.66 O20
• Calculated formula: C195.553 H195.553 Cl10.659 O20
• Title of publication: Expanded Helicenes: A General Synthetic Strategy and Remarkable Supramolecular and Solid-State Behavior.
• Authors of publication: Kiel, Gavin R.; Patel, Sajan C.; Smith, Patrick W.; Levine, Daniel S.; Tilley, T. Don
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 51
• Pages of publication: 18456 - 18459
• a: 23.2934 ± 0.0008 Å
• b: 19.8397 ± 0.0008 Å
• c: 37.1735 ± 0.0013 Å
• α: 90°
• β: 100.129 ± 0.002°
• γ: 90°
• Cell volume: 16911.4 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.7749 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No