Information card for entry 1554769

Structure parameters

• Formula: C143 H54 N2 O10 S2
• Calculated formula: C143 H54 N2 O10 S2
• Title of publication: Synthesis of an open-cage fullerene-based unidirectional H-bonding network and its coordination with titanium
• Authors of publication: Zhang, Hao; Su, Jie; Pan, Changwang; Lu, Xing; Gan, Liangbing
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 1397
• a: 10.4701 ± 0.0003 Å
• b: 25.097 ± 0.0011 Å
• c: 16.2566 ± 0.0006 Å
• α: 90°
• β: 91.218 ± 0.003°
• γ: 90°
• Cell volume: 4270.8 ± 0.3 ų
• Cell temperature: 179.98 ± 0.11 K
• Ambient diffraction temperature: 179.98 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No