Information card for entry 4024575

Structure parameters

• Formula: C24 H18 O6
• Calculated formula: C24 H18 O6
• SMILES: C(=O)(Oc1cc2ccccc2cc1)[C@H](O)[C@@H](O)C(=O)Oc1cc2ccccc2cc1
• Title of publication: Synthesis, Conformation and Chiroptical Properties of Diaryl Esters of Tartaric Acid
• Authors of publication: Robert Cysewski; Marcin Kwit; Beata Warżajtis; Urszula Rychlewska; Jacek Gawroński
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 4573 - 4583
• a: 5.8352 ± 0.0002 Å
• b: 7.9311 ± 0.0003 Å
• c: 20.5792 ± 0.0008 Å
• α: 100.02 ± 0.003°
• β: 92.974 ± 0.003°
• γ: 92.513 ± 0.003°
• Cell volume: 935.25 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No