Information card for entry 4313579

Structure parameters

• Formula: C7 H12 Li N O3 S
• Calculated formula: C7 H12 Li N O3 S
• Title of publication: Rational Design of Molecular Sheets Composed of Interconnecting Eight- and Twenty-Four-Membered Rings: Use of Lithiated Aggregates To Control Network Assembly
• Authors of publication: Kenneth W. Henderson; Alan R. Kennedy; Lynn Macdonald; Dugald J. MacDougall
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2839 - 2841
• a: 9.172 ± 0.003 Å
• b: 9.787 ± 0.003 Å
• c: 10.899 ± 0.004 Å
• α: 90°
• β: 93.833 ± 0.015°
• γ: 90°
• Cell volume: 976.2 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.1118
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No