Information card for entry 7116271

Structure parameters

• Formula: C14 H14 Cl N O
• Calculated formula: C14 H14 Cl N O
• Title of publication: Intramolecular Schmidt reaction of acyl chlorides with alkyl azides: preparation of pyrrolizine by intramolecular capture of intermediates with alkenes or alkynes.
• Authors of publication: Wang, Bao-Juan; Xue, Ping; Gu, Peiming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2277 - 2279
• a: 17.485 ± 0.002 Å
• b: 10.6501 ± 0.0011 Å
• c: 13.4479 ± 0.0014 Å
• α: 90°
• β: 97.808 ± 0.011°
• γ: 90°
• Cell volume: 2481 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1953
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No