Information card for entry 4038050

Structure parameters

• Formula: C18 H26 Na2 O10
• Calculated formula: C18 H26 Na2 O10
• Title of publication: Synthesis of Diaryl Hydroxyl Dicarboxylic Acids from Amino Acids.
• Authors of publication: Eronen, Aleksi E. K.; Mannisto, Jere K.; Moslova, Karina; Nieger, Martin; Heliövaara, Eeva; Repo, Timo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 6.2002 ± 0.0002 Å
• b: 8.7727 ± 0.0003 Å
• c: 19.3378 ± 0.0007 Å
• α: 101.692 ± 0.001°
• β: 93.848 ± 0.001°
• γ: 90.292 ± 0.001°
• Cell volume: 1027.5 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No