Information card for entry 1555515

Structure parameters

• Formula: C19 H16 Cl N O2
• Calculated formula: C19 H16 Cl N O2
• SMILES: O=C1N(c2ccc(cc2)Cl)C(=O)[C@@]23[C@@]41[C@H](C=CC4)C[C@@H]2C=CC3
• Title of publication: Target Specific Tactics in Olefin Metathesis: Synthetic Approach to cis-syn-cis-Triquinanes and -Propellanes.
• Authors of publication: Kotha, Sambasivarao; Aswar, Vikas R.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1808 - 1811
• a: 12.568 ± 0.009 Å
• b: 7.479 ± 0.005 Å
• c: 17.461 ± 0.012 Å
• α: 90°
• β: 108.353 ± 0.008°
• γ: 90°
• Cell volume: 1557.8 ± 1.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.15 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: 0.0906
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No