Information card for entry 3000201

Structure parameters

• Formula: C14 H19 N O5
• Title of publication: ?
• Authors of publication: Kinga Roszak; Andrzej Katrusiak
• Journal of publication: To be published
• a: 7.7435 ± 0.0004 Å
• b: 8.5239 ± 0.0006 Å
• c: 21.3072 ± 0.001 Å
• α: 90°
• β: 93.777 ± 0.004°
• γ: 90°
• Cell volume: 1403.32 ± 0.14 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1624
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.2035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No