Information card for entry 1529448

Structure parameters

• Chemical name: Organics
• Formula: C15 H18 Cl N O2
• Calculated formula: C15 H18 Cl N O2
• SMILES: ClC12CC(=C3C(C=C1)(C=C2)CN(C3=O)C(C)(C)C)O
• Title of publication: Hg(OTf)2 Catalyzed Intramolecular 1,4-Addition of Donor-Acceptor Cyclopropenes to Arenes.
• Authors of publication: Deng, Yongming; Jing, Changcheng; Zavalij, Peter Y.; Doyle, Michael P.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 4312 - 4315
• a: 11.1941 ± 0.0017 Å
• b: 11.9877 ± 0.0018 Å
• c: 12.3151 ± 0.0019 Å
• α: 117.921 ± 0.002°
• β: 101.02 ± 0.002°
• γ: 90.422 ± 0.002°
• Cell volume: 1424.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No