Information card for entry 2229513

Structure parameters

• Common name: 2-phenyl-2,3-dihydro-1,4-dioxatriphenylene
• Chemical name: 2-Phenyl-2,3-dihydrophenanthro[9,10-<i>b</i>][1,4]dioxine
• Formula: C22 H16 O2
• Calculated formula: C22 H16 O2
• SMILES: O1C(c2ccccc2)COc2c3ccccc3c3ccccc3c12
• Title of publication: 2-Phenyl-2,3-dihydrophenanthro[9,10-<i>b</i>][1,4]dioxine
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Wu, Dongdong; Zhang, Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o572
• a: 12.1831 ± 0.0003 Å
• b: 5.4674 ± 0.0001 Å
• c: 24.6064 ± 0.0007 Å
• α: 90°
• β: 106.005 ± 0.002°
• γ: 90°
• Cell volume: 1575.5 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0801
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes