Information card for entry 1569273

Structure parameters

• Formula: C22 H19 N O
• Calculated formula: C22 H19 N O
• SMILES: O=C1[C@]2(C3(C=CN(C=C3)C)c3c1cccc3)C[C@H]2c1ccccc1.O=C1[C@@]2(C3(C=CN(C=C3)C)c3c1cccc3)C[C@@H]2c1ccccc1
• Title of publication: An interrupted Corey-Chaykovsky reaction of designed azaarenium salts: synthesis of complex polycyclic spiro- and fused cyclopropanoids.
• Authors of publication: Singh, Bara; Ansari, Arshad J.; Malik, Nirmal; Ramasastry, S. S. V.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 25
• Pages of publication: 6963 - 6969
• a: 8.2759 ± 0.0004 Å
• b: 18.6849 ± 0.0008 Å
• c: 11.6613 ± 0.0006 Å
• α: 90°
• β: 106.981 ± 0.005°
• γ: 90°
• Cell volume: 1724.62 ± 0.15 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• 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: 0.0778
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No