Information card for entry 2201847

Structure parameters

• Common name: Naringenin
• Chemical name: 2,3-Dihydro-5,6-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
• Formula: C15 H12 O5
• Calculated formula: C15 H12 O5
• SMILES: Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O
• Title of publication: An anomalous racemate of naringenin at 120K
• Authors of publication: Philip J. Cox; Marcel Jaspars; Yashodharan Kumarasamy; Lutfun Nahar; Satyajit D. Sarker
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o46 - o48
• a: 4.874 ± 0.0005 Å
• b: 15.261 ± 0.0015 Å
• c: 16.423 ± 0.002 Å
• α: 90°
• β: 92.375 ± 0.005°
• γ: 90°
• Cell volume: 1220.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2191
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No