Information card for entry 7151249

Structure parameters

• Formula: C28 H34 N2 O3
• Calculated formula: C28 H34 N2 O3
• SMILES: [C@@H]12CCCC(=O)[C@@H]1N1[C@H](c3ccccc3)CN([C@H]1[C@H]2C(=O)OC(C)(C)C)Cc1ccccc1
• 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: 5.8566 ± 0.0004 Å
• b: 22.8548 ± 0.0018 Å
• c: 9.1424 ± 0.0007 Å
• α: 90°
• β: 92.913 ± 0.006°
• γ: 90°
• Cell volume: 1222.14 ± 0.16 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: 0.0842
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No