Information card for entry 4031058

Structure parameters

• Formula: C24 H25 N O6
• Calculated formula: C24 H25 N O6
• SMILES: O=C(c1c(NC2CCCCC2)c2Oc3c(C(=O)c2c(c1)C(=O)OC)ccc(OC)c3)C
• Title of publication: Regioselective Tandem [4 + 1]-[4 + 2] Synthesis of Amino-Substituted Dihydroxanthones and Xanthones.
• Authors of publication: Bornadiego, Ana; Díaz, Jesús; Marcos, Carlos F.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 12
• Pages of publication: 6165 - 6172
• a: 12.6115 ± 0.0002 Å
• b: 13.0653 ± 0.0002 Å
• c: 14.4113 ± 0.0002 Å
• α: 67.348°
• β: 71.132°
• γ: 86.941 ± 0.001°
• Cell volume: 2066.77 ± 0.05 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1487
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No