Information card for entry 2217170

Structure parameters

• Chemical name: 2-<i>O</i>-Benzhydryl-3,4-(S)-<i>O</i>-benzylidene-d-lyxono-1,4-lactone
• Formula: C25 H22 O5
• Calculated formula: C25 H22 O5
• SMILES: O=C1O[C@H]2[C@@H]([C@@H]1OC(c1ccccc1)c1ccccc1)O[C@H](OC2)c1ccccc1
• Title of publication: 2-<i>O</i>-Benzhydryl-3,4-(<i>S</i>)-<i>O</i>-benzylidene-<small>D</small>-lyxono-1,4-lactone
• Authors of publication: Jenkinson, Sarah F.; Rule, Sebastian D.; Booth, Kathrine V.; Fleet, George W. J.; Watkin, David J.; Petursson, Sigthor
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o26 - o26
• a: 9.2805 ± 0.0002 Å
• b: 11.3538 ± 0.0002 Å
• c: 19.2493 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2028.28 ± 0.07 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: 0.042
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9649
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes