Information card for entry 2006622

Structure parameters

• Formula: C18 H28 N4 O7 Si
• Calculated formula: C18 H28 N4 O7 Si
• SMILES: [Si](C12[NH+](CCCC1)CCCC2)(C)(C)C.c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O
• Title of publication: 9a-Trimethylsilyloctahydroquinolizinium Picrate
• Authors of publication: White, Jonathan M.; Tham, Wai-Ying
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1471 - 1472
• a: 11.871 ± 0.001 Å
• b: 21.586 ± 0.002 Å
• c: 8.484 ± 0.001 Å
• α: 90 ± 0.01°
• β: 102.58 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 2121.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.1392
• Weighted residual factors for significantly intense reflections: 0.1331
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for significantly intense reflections: 1.089
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes