Information card for entry 1507551

Structure parameters

• Common name: DIVER-7B
• Formula: C19 H20 N2 O
• Calculated formula: C19 H20 N2 O
• SMILES: n12c3c(n(c1=O)CCc1c(cc(c(c1)C)CC2)C)cccc3
• Title of publication: A New Method for the Synthesis of Imidazolidinone- and Benzimidazolone-Containing [2.2]Cyclophanes
• Authors of publication: Ellis, Keisha K.; Wilke, Burkhardt; Zhang, Yuegang; Diver, Steven T.
• Journal of publication: Organic Letters
• Year of publication: 2000
• Journal volume: 2
• Journal issue: 24
• Pages of publication: 3785
• a: 7.5911 ± 0.0007 Å
• b: 13.9115 ± 0.0011 Å
• c: 14.3428 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1514.7 ± 0.2 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: 0.0471
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No