Information card for entry 7125561

Structure parameters

• Formula: C93 H108 F9 Li3 N6 O21 S3
• Calculated formula: C93 H102 F9 Li3 N6 O21 S3
• Title of publication: Self-assembly of a stereoselective trinuclear sodium/lithium triple helix.
• Authors of publication: Capó, Magdalena; Saá, José M; Alvarez, Angel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 1982 - 1983
• a: 15.331 ± 0.01 Å
• b: 27.404 ± 0.016 Å
• c: 23.137 ± 0.014 Å
• α: 90°
• β: 98.033 ± 0.016°
• γ: 90°
• Cell volume: 9625 ± 10 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.372
• Residual factor for significantly intense reflections: 0.1553
• Weighted residual factors for significantly intense reflections: 0.368
• Weighted residual factors for all reflections included in the refinement: 0.4896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No