Information card for entry 1503221

Structure parameters

• Formula: C21 H25 N3 O
• Calculated formula: C21 H25 N3 O
• SMILES: n1(N2C3(C(=C)CCCC3)Cc3c(C2=O)cccc3N(C)C)cccc1
• 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: 9.6129 ± 0.001 Å
• b: 15.9 ± 0.0016 Å
• c: 12.4424 ± 0.0013 Å
• α: 90°
• β: 109.191 ± 0.002°
• γ: 90°
• Cell volume: 1796.1 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No