Information card for entry 7249255

Structure parameters

• Formula: C44 H68 Cl2 N2
• Calculated formula: C44 H68 Cl2 N2
• Title of publication: Exploiting natural complexity for substrate controlled regioselectivity and stereoselectivity in tantalum catalysed hydroaminoalkylation
• Authors of publication: Zheng, Cameron H. M.; Nadeau, Ben E.; Trajano, Heather L.; Schafer, Laurel L.
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 9729 - 9736
• a: 7.0051 ± 0.0006 Å
• b: 18.9291 ± 0.0014 Å
• c: 36.914 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4894.8 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1935
• Residual factor for significantly intense reflections: 0.1423
• Weighted residual factors for significantly intense reflections: 0.3421
• Weighted residual factors for all reflections included in the refinement: 0.3828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.305
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No