Information card for entry 7152539

Structure parameters

• Formula: C29 H26 N4 O3
• Calculated formula: C29 H26 N4 O3
• Title of publication: Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.
• Authors of publication: Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 33
• Pages of publication: 6649 - 6655
• a: 17.055 ± 0.003 Å
• b: 7.5478 ± 0.0012 Å
• c: 19.591 ± 0.003 Å
• α: 90°
• β: 100.937 ± 0.002°
• γ: 90°
• Cell volume: 2476.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1782
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No