Information card for entry 7151250

Structure parameters

• Formula: C20 H24 N2 O2
• Calculated formula: C20 H24 N2 O2
• SMILES: c1ccccc1CN1CCn2c3C1CCCc3c(c2)C(=O)OCC
• Title of publication: Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.
• Authors of publication: Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 16
• Pages of publication: 3155 - 3165
• a: 5.3447 ± 0.0011 Å
• b: 10.854 ± 0.002 Å
• c: 14.722 ± 0.003 Å
• α: 81.91 ± 0.03°
• β: 87.82 ± 0.03°
• γ: 88.8 ± 0.03°
• Cell volume: 844.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1507
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No