Information card for entry 7153082

Structure parameters

• Formula: C27 H34 N2 O4
• Calculated formula: C27 H34 N2 O4
• SMILES: N1(C[C@@H](N2[C@@H](C[C@@]([C@@H]12)(C)C(=O)OC)C(=O)OC(C)(C)C)c1ccccc1)Cc1ccccc1
• Title of publication: Cycloaddition of homochiral dihydroimidazoles: a 1,3-dipolar cycloaddition route to optically active pyrrolo[1,2-a]imidazoles.
• Authors of publication: Jones, Raymond C. F.; Howard, Kevin J.; Snaith, John S.; Blake, Alexander J.; Li, Wang-Shei; Steel, Peter J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 297 - 306
• a: 8.046 ± 0.001 Å
• b: 14.28 ± 0.002 Å
• c: 22.646 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2602 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No