Information card for entry 7115304

Structure parameters

• Formula: C26 H34 Cl N2 O3
• Calculated formula: C26 H34 Cl N2 O3
• Title of publication: The construction of rigid supramolecular polymers in water through the self-assembly of rod-like monomers and cucurbit[8]uril
• Authors of publication: Feng Lin; Tian-Guang Zhan; Tian-You Zhou; Kang-Da Zhang; Guang-Yu Li; Jian Wu; Xin Zhao
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7982
• a: 15.6872 ± 0.0018 Å
• b: 19.328 ± 0.002 Å
• c: 8.3731 ± 0.0009 Å
• α: 90°
• β: 95.034 ± 0.002°
• γ: 90°
• Cell volume: 2528.9 ± 0.5 ų
• Cell temperature: 132 ± 2 K
• Ambient diffraction temperature: 132 ± 2 K
• Number of distinct elements: 5
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No