Information card for entry 1552920

Structure parameters

• Chemical name: Ethyl 5-[(ethoxycarbonyl)oxy]-5,5-diphenylpent-2-ynoate
• Formula: C22 H22 O5
• Calculated formula: C22 H22 O5
• Title of publication: Ethyl 5-[(ethoxycarbonyl)oxy]-5,5-diphenylpent-2-ynoate
• Authors of publication: Cabezas, Jorge A.; Fernandez, Cristian Saul Campos
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 11
• Pages of publication: x191526
• a: 9.9461 ± 0.0004 Å
• b: 12.151 ± 0.0005 Å
• c: 16.8171 ± 0.0007 Å
• α: 105.006 ± 0.001°
• β: 94.22 ± 0.001°
• γ: 104.926 ± 0.001°
• Cell volume: 1875.34 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0494
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes