Information card for entry 1503222

Structure parameters

• Formula: C19 H21 N3 O
• Calculated formula: C19 H21 N3 O
• SMILES: N1(C(=O)c2c(CC31C(=C)CCCC3)cccc2N)n1cccc1
• Title of publication: Decarbonylative cycloaddition of phthalimides with 1,3-dienes.
• Authors of publication: Fujiwara, Kyohei; Kurahashi, Takuya; Matsubara, Seijiro
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 4548 - 4551
• a: 10.6196 ± 0.0011 Å
• b: 11.847 ± 0.0012 Å
• c: 13.843 ± 0.0015 Å
• α: 91.696 ± 0.002°
• β: 104.085 ± 0.002°
• γ: 97.966 ± 0.002°
• Cell volume: 1669.3 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No