Information card for entry 1552242

Structure parameters

• Formula: C125 H180 N4 O19
• Calculated formula: C125 H180 N4 O19
• Title of publication: A Macrocyclic Oligofuran: Synthesis, Solid State Structure and Electronic Properties
• Authors of publication: Mulay, Sandip V.; Dishi, Or; Fang, Yuan; Niazi, Muhammad Rizwan; Shimon, Linda JW; Perepichka, Dmitrii; Gidron, Ori
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 4.83 ± 0.001 Å
• b: 22.78 ± 0.005 Å
• c: 28.51 ± 0.006 Å
• α: 79.22 ± 0.03°
• β: 88.33 ± 0.03°
• γ: 86.44 ± 0.03°
• Cell volume: 3075.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1301
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2789
• Weighted residual factors for all reflections included in the refinement: 0.3072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No