Information card for entry 4117215

Structure parameters

• Chemical name: Lithium-1,1-bicyclopropylethanolate
• Formula: C8 H13 Li O
• Calculated formula: C8 H13 Li O
• Title of publication: A "Lithium-Bonded" Cyclopropyl Edge: The X-ray Crystal Structure of [Li-O-C(Me)-(c-CHCH2CH2)2]6 and Computational Studies
• Authors of publication: Bernd Goldfuss; Paul von Ragué Schleyer; Frank Hampel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 12183 - 12189
• a: 12.215 ± 0.002 Å
• b: 12.218 ± 0.003 Å
• c: 26.562 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3433.1 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections: 0.1385
• Weighted residual factors for significantly intense reflections: 0.1234
• Goodness-of-fit parameter for all reflections: 1.11
• Goodness-of-fit parameter for significantly intense reflections: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No