Information card for entry 2200879

Structure parameters

• Chemical name: Diisopropyl 2-(2-benzoyl-1-phenylethyl)malonate
• Formula: C24 H28 O5
• Calculated formula: C24 H28 O5
• SMILES: O=C(OC(C)C)C(C(CC(=O)c1ccccc1)c1ccccc1)C(=O)OC(C)C
• Title of publication: Diisopropyl 2-(2-benzoyl-1-phenylethyl)malonate
• Authors of publication: Jeyabharathi, A.; Ponnuswamy, M. N.; Narasimhan, S.; Velmathi, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o334 - o335
• a: 6.031 ± 0.001 Å
• b: 10.2147 ± 0.001 Å
• c: 19.0691 ± 0.001 Å
• α: 74.759 ± 0.01°
• β: 89.109 ± 0.01°
• γ: 76.871 ± 0.01°
• Cell volume: 1102.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.106
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes