Information card for entry 7151295

Structure parameters

• Formula: C11 H22 I N O
• Calculated formula: C11 H22 I N O
• SMILES: [I-].OC[C@H]1[N+](C[C@@H]2[C@@H]1CCCC2)(C)C
• Title of publication: Diastereoselectivity of polar and radical couplings in electrophilic substitutions of rigid 2-lithio-N-methylpyrrolidines.
• Authors of publication: Gawley, Robert E.; Eddings, Daniel B.; Santiago, Marcelina; Vicic, Davic A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 23
• Pages of publication: 4285 - 4291
• a: 7.1485 ± 0.0011 Å
• b: 13.16 ± 0.002 Å
• c: 14.239 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1339.5 ± 0.3 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.762
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No