Information card for entry 2011167

Structure parameters

• Chemical name: 2,4,6,2',4',6'-Hexamethyl-4H,4'H[4,4']bipyranyl
• Formula: C16 H22 O2
• Calculated formula: C16 H22 O2
• SMILES: C1(C)=CC(C=C(O1)C)(C)C1(C)C=C(OC(C)=C1)C
• Title of publication: 2,2',4,4',6,6'-Hexamethyl-4,4'-bi[4<i>H</i>-pyranyl]
• Authors of publication: Ziemer, Burkhard; Grubert, Lutz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: e304 - e304
• a: 7.842 ± 0.002 Å
• b: 11.458 ± 0.003 Å
• c: 8.824 ± 0.002 Å
• α: 90°
• β: 114.26 ± 0.03°
• γ: 90°
• Cell volume: 722.9 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes