Information card for entry 2004888

Structure parameters

• Chemical name: [tert-Butyl(methyl)ether-O]-lithium phenylmethanide
• Formula: C12 H19 Li O
• Calculated formula: C12 H19 Li O
• SMILES: c1(ccccc1)C[Li]([O](C)C(C)(C)C)[CH2](c1ccccc1)[Li][O](C)C(C)(C)C
• Title of publication: Benzyllithium <i>tert</i>-Butyl Methyl Etherate
• Authors of publication: Müller, G.; Lutz, M.; Waldkircher, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1182 - 1184
• a: 13.103 ± 0.004 Å
• b: 7.734 ± 0.001 Å
• c: 13.392 ± 0.004 Å
• α: 90°
• β: 119.09 ± 0.01°
• γ: 90°
• Cell volume: 1185.9 ± 0.5 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 4
• 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: 0.1607
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections: 0.1379
• Weighted residual factors for significantly intense reflections: 0.1058
• Goodness-of-fit parameter for all reflections: 1.006
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No