Information card for entry 7249254

Structure parameters

• Formula: C22 H35 Cl2 N
• Calculated formula: C21.924 H34.772 Cl1.91 N
• 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: 7.639 ± 0.0005 Å
• b: 9.6446 ± 0.0005 Å
• c: 15.2699 ± 0.0009 Å
• α: 90.88 ± 0.002°
• β: 100.392 ± 0.002°
• γ: 102.199 ± 0.002°
• Cell volume: 1079.9 ± 0.11 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: 0.0687
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No