Information card for entry 7124930

Structure parameters

• Formula: C29 H33 N3 O2
• Calculated formula: C29 H33 N3 O2
• Title of publication: Synthesis of homopropargylamines from 2-cyanoazetidines.
• Authors of publication: Quinodoz, P.; Wright, K.; Drouillat, B.; David, O.; Marrot, J.; Couty, F.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 65
• Pages of publication: 10072 - 10075
• a: 9.6437 ± 0.0004 Å
• b: 11.6855 ± 0.0005 Å
• c: 12.1217 ± 0.0006 Å
• α: 87.115 ± 0.002°
• β: 71.784 ± 0.002°
• γ: 82.973 ± 0.002°
• Cell volume: 1287.7 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0791
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No