Information card for entry 7157723

Structure parameters

• Formula: C23 H40 N2 O
• Calculated formula: C23 H40 N2 O
• Title of publication: Palladium-catalyzed double coupling reaction of terminal alkynes with isocyanides: a direct approach to symmetrical <i>N</i>-aryl dialkynylimines.
• Authors of publication: Xi, Zhi-Wei; He, Yan; Liu, Li-Qiu; Wang, Ying-Chun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 40
• Pages of publication: 8089 - 8093
• a: 8.2053 ± 0.0005 Å
• b: 9.9516 ± 0.0006 Å
• c: 14.8729 ± 0.0013 Å
• α: 79.118 ± 0.006°
• β: 88.843 ± 0.006°
• γ: 68.605 ± 0.006°
• Cell volume: 1108.86 ± 0.15 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0654
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No