Information card for entry 4132671

Structure parameters

• Formula: C20 H23 N
• Calculated formula: C20 H23 N
• SMILES: n1c2c(c(/C=C(\C=C\C3CCCCC3)C)cc1)cccc2
• Title of publication: Highly Regio- and Stereoselective Catalytic Synthesis of Conjugated Dienes and Polyenes.
• Authors of publication: Nguyen, Vu T.; Dang, Hang T.; Pham, Hoang H.; Nguyen, Viet D.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 27
• Pages of publication: 8434 - 8438
• a: 10.3571 ± 0.0005 Å
• b: 11.0882 ± 0.0004 Å
• c: 14.0186 ± 0.0007 Å
• α: 92.908 ± 0.003°
• β: 101.465 ± 0.004°
• γ: 90.026 ± 0.003°
• Cell volume: 1575.67 ± 0.13 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No