Information card for entry 4029090

Structure parameters

• Formula: C38 H34 Cl2 N8
• Calculated formula: C38 H34 Cl2 N8
• Title of publication: One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.
• Authors of publication: Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 1
• Pages of publication: 426 - 431
• a: 10.9767 ± 0.0004 Å
• b: 11.446 ± 0.0006 Å
• c: 16.613 ± 0.0008 Å
• α: 94.177 ± 0.002°
• β: 93.6006 ± 0.0013°
• γ: 106.993 ± 0.002°
• Cell volume: 1983.06 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2196
• Residual factor for significantly intense reflections: 0.1941
• Weighted residual factors for significantly intense reflections: 0.4771
• Weighted residual factors for all reflections included in the refinement: 0.4847
• Goodness-of-fit parameter for all reflections included in the refinement: 3.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No