Information card for entry 2215404

Structure parameters

• Chemical name: 2-O-(4,4'-Dimethylbenzhydryl)-L-erythronolactone
• Formula: C19 H20 O4
• Calculated formula: C19 H20 O4
• SMILES: O(C(c1ccc(cc1)C)c1ccc(cc1)C)[C@@H]1C(=O)OC[C@@H]1O
• Title of publication: 2-<i>O</i>-(4,4'-Dimethylbenzhydryl)-<small>L</small>-erythronolactone
• Authors of publication: Petursson, Sigthor; Jenkinson, Sarah F.; Booth, Kathrine V.; Weymouth-Wilson, Alexander C.; Watkin, David J.; Fleet, George W.J.; Best, Daniel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4121 - o4121
• a: 6.1276 ± 0.0002 Å
• b: 8.8248 ± 0.0003 Å
• c: 30.2629 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1636.46 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections: 0.1708
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9337
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes