Information card for entry 2200201

Structure parameters

• Chemical name: 2-Chloro-3-[4-(ethoxycarbonyl)-1-piperidyl]-1,4-naphthoquinone
• Formula: C18 H18 Cl N O4
• Calculated formula: C18 H18 Cl N O4
• Title of publication: 2-Chloro-3-[4-(ethoxycarbonyl)-1-piperidyl]-1,4-naphthoquinone
• Authors of publication: Lynch, Daniel E.; McClenaghan, Ian; Coles, Simon J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: o125 - o126
• a: 12.78 ± 0.003 Å
• b: 16.931 ± 0.003 Å
• c: 7.8532 ± 0.0016 Å
• α: 90°
• β: 101.85 ± 0.03°
• γ: 90°
• Cell volume: 1663 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.201
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes