Information card for entry 4335874

Structure parameters

• Formula: C16 H14 K N O5
• Calculated formula: C16 H14 K N O5
• SMILES: [K+].C1(=O)c2c3c(C(=O)N1[C@@H](C)C(=O)[O-])cccc3ccc2.CO
• Title of publication: Homochiral Helical Metal-Organic Frameworks of Group 1 Metals
• Authors of publication: Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10041 - 10051
• a: 6.8979 ± 0.0005 Å
• b: 14.3515 ± 0.001 Å
• c: 14.5164 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1437.05 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No