Information card for entry 4038944

Structure parameters

• Formula: C19 H24 Cl N O
• Calculated formula: C19 H24 Cl N O
• Title of publication: Bicyclic Piperidines <i>via</i> [2 + 2] Photocycloaddition.
• Authors of publication: Shcherbakova, Valeriya; Dibchak, Dmitry; Snisarenko, Mariya; Skalenko, Yevhen; Denisenko, Aleksandr V.; Kuznetsova, Anastasiia S.; Mykhailiuk, Pavel K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 7.6019 ± 0.0005 Å
• b: 12.1084 ± 0.0008 Å
• c: 18.2856 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1683.13 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No