Information card for entry 2104943

Structure parameters

• Common name: ethyl-<i>tert</i>-butyl ether
• Chemical name: 2-ethoxy-2-methylpropane
• Formula: C6 H14 O
• Calculated formula: C6 H14 O
• SMILES: CCOC(C)(C)C
• Title of publication: Predicted and experimental crystal structures of ethyl-<i>tert</i>-butyl ether
• Authors of publication: Hammer, Sonja M.; Alig, Edith; Fink, Lothar; Schmidt, Martin U.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: 155 - 162
• a: 14.717 ± 0.0003 Å
• b: 7.76462 ± 0.00017 Å
• c: 6.22813 ± 0.00016 Å
• α: 90°
• β: 101.015 ± 0.0015°
• γ: 90°
• Cell volume: 698.59 ± 0.03 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Goodness-of-fit parameter for all reflections: 2.714
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes