Information card for entry 2241470

Structure parameters

• Chemical name: 2-Hydroxy-3-(2-methylprop-1-en-1-yl)naphthalene-1,4-dione
• Formula: C14 H12 O3
• Calculated formula: C14 H12 O3
• Title of publication: Crystal structure and conformational analysis of 2-hydroxy-3-(2-methylprop-1-en-1-yl)naphthalene-1,4-dione
• Authors of publication: Alcantara Emiliano, Sannyele; Welma Duarte Silva, Sheyla; Alves Pereira, Mariano; R.dos Santos Malta, Valeria; Luciano Balliano, Tatiane
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 188 - 190
• a: 4.3564 ± 0.0002 Å
• b: 16.4069 ± 0.0008 Å
• c: 15.8598 ± 0.0007 Å
• α: 90°
• β: 94.793 ± 0.002°
• γ: 90°
• Cell volume: 1129.62 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes