Information card for entry 2003586

Structure parameters

• Chemical name: 3-(4-butoxycarbonyl-phenyloxycarbonyl)-Xanthen-9-one
• Formula: C25 H20 O6
• Calculated formula: C25 H20 O6
• Title of publication: 3-(4-Butoxycarbonylphenyloxycarbonyl)-xanthen-9-one
• Authors of publication: Centore, R.; Ciajolo, M. R.; Tuzi, A.; Kricheldorf, H. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1211 - 1213
• a: 7.59 ± 0.001 Å
• b: 11.64 ± 0.001 Å
• c: 11.748 ± 0.003 Å
• α: 88 ± 0.01°
• β: 88.08 ± 0.01°
• γ: 80.02 ± 0.01°
• Cell volume: 1021.2 ± 0.3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.067
• Goodness-of-fit parameter for significantly intense reflections: 3.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No