Information card for entry 7132951

Structure parameters

• Formula: C26 H22 Cl N O2
• Calculated formula: C26 H22 Cl N O2
• Title of publication: Regioselective synthesis of N-containing polycyclic compounds <i>via</i> radical annulation cyclization of 1,7-dienes with aldehydes.
• Authors of publication: Sui, Jia-Li; Zhong, Long-Jin; Xiong, Bi-Quan; Tang, Ke-Wen; Liu, Yu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 36
• Pages of publication: 4834 - 4837
• a: 7.7575 ± 0.0002 Å
• b: 11.8553 ± 0.0003 Å
• c: 12.4714 ± 0.0003 Å
• α: 68.379 ± 0.002°
• β: 88.015 ± 0.002°
• γ: 75.886 ± 0.002°
• Cell volume: 1032.14 ± 0.05 ų
• Cell temperature: 99.98 ± 0.15 K
• Ambient diffraction temperature: 99.98 ± 0.15 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: 0.0321
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0401
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No