Information card for entry 2006970

Structure parameters

• Formula: C24 H22 O3
• Calculated formula: C24 H22 O3
• SMILES: c12c(C(=C(C(C)(C)O2)c2ccccc2)c2ccc(cc2)O)ccc(c1)OC
• Title of publication: 7-Methoxy-2,2-dimethyl-3-phenyl-4-(4-hydroxyphenyl)-2<i>H</i>-1-benzopyran
• Authors of publication: Ray, Suprabhat; Sarkhel, Sanjay; Maulik, Prakas R.; Lobkovsky, Emil; Clardy, Jon
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 134 - 136
• a: 10.236 ± 0.002 Å
• b: 10.258 ± 0.002 Å
• c: 18.827 ± 0.004 Å
• α: 90°
• β: 105.1 ± 0.02°
• γ: 90°
• Cell volume: 1908.6 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections: 0.1021
• Weighted residual factors for significantly intense reflections: 0.0953
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No