Information card for entry 8105333

Structure parameters

• Formula: C15 H14 Cl N O4
• Calculated formula: C15 H14 Cl N O4
• SMILES: C1CCC2(C1)OC(=O)C(C(=O)O2)=CNc1ccc(cc1)Cl
• Title of publication: The crystal structure of 8-((4-chlorophenylamino)methylene)-6,10-dioxaspiro[4.5]decane-7,9-dione, C15H14ClNO4
• Authors of publication: Zhang, Yun-Chen; Zeng, Wu-Lan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 925 - 927
• a: 14.188 ± 0.003 Å
• b: 5.693 ± 0.0011 Å
• c: 17.444 ± 0.004 Å
• α: 90°
• β: 95.6 ± 0.03°
• γ: 90°
• Cell volume: 1402.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0916
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No