Information card for entry 2218612

Structure parameters

• Chemical name: Diethyl 2-(triphenylmethyl)malonate
• Formula: C26 H26 O4
• Calculated formula: C26 H26 O4
• SMILES: CCOC(=O)C(C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC
• Title of publication: Diethyl 2-(triphenylmethyl)malonate
• Authors of publication: Yuan, Xian-You; Zhang, Min; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1314
• a: 8.5871 ± 0.0005 Å
• b: 19.884 ± 0.001 Å
• c: 12.7591 ± 0.0008 Å
• α: 90°
• β: 97.302 ± 0.001°
• γ: 90°
• Cell volume: 2160.9 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes