Information card for entry 7151248

Structure parameters

• Formula: C25 H26 N2 O2
• Calculated formula: C25 H26 N2 O2
• SMILES: n12c3[C@H](N(C[C@@H]2c2ccccc2)Cc2ccccc2)CCCc3c(C(=O)OC)c1
• 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: 10.559 ± 0.002 Å
• b: 9.6567 ± 0.0019 Å
• c: 11.052 ± 0.002 Å
• α: 90°
• β: 112.47 ± 0.03°
• γ: 90°
• Cell volume: 1041.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No