Information card for entry 7113313

Structure parameters

• Formula: C89 H104 Cl6 N8 O12 S24
• Calculated formula: C89 H104 Cl6 N8 O12 S24
• Title of publication: Use of solvent to regulate the degree of polymerisation in weakly associated supramolecular oligomers
• Authors of publication: Steffen Bahring; Dong Sub Kim; Troels Duedal; Vincent M. Lynch; Kent A. Nielsen; Jan O. Jeppesen; Jonathan L. Sessler
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5497
• a: 17.3624 ± 0.0012 Å
• b: 17.5374 ± 0.0013 Å
• c: 21.322 ± 0.002 Å
• α: 103.499 ± 0.008°
• β: 108.269 ± 0.009°
• γ: 107.023 ± 0.008°
• Cell volume: 5503.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.1244
• Weighted residual factors for significantly intense reflections: 0.3248
• Weighted residual factors for all reflections included in the refinement: 0.3295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.991
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No