Information card for entry 7104912

Structure parameters

• Formula: C60 H143 N9 Na6 O Si10
• Calculated formula: C60 H143 N9 Na6 O Si10
• SMILES: [Na]12[OH]34[Na]([N]2([Si](C)(C)C)[Si](C)(C)C)[N]([Si](C)(C)C)([Na]4[N]([Na]3[N]1([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C.[Na]1([N]23CCCC[C@H]2[C@H]2C[C@@H](C3)[C@@H]3[N]1(C2)CCCC3)[N]([Si](C)(C)C)([Si](C)(C)C)[Na]1[N]23CCCC[C@H]2[C@H]2C[C@@H](C3)[C@@H]3[N]1(C2)CCCC3
• Title of publication: Reactions of (-)-sparteine with alkali metal HMDS complexes: conventional meets the unconventional.
• Authors of publication: Clark, Natalie M; García-Alvarez, Pablo; Kennedy, Alan R; O'Hara, Charles T; Robertson, Gemma M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 39
• Pages of publication: 5835 - 5837
• a: 18.2491 ± 0.0004 Å
• b: 16.2717 ± 0.0003 Å
• c: 14.9831 ± 0.0003 Å
• α: 90°
• β: 90.45 ± 0.002°
• γ: 90°
• Cell volume: 4449 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No