Information card for entry 1517819

Structure parameters

• Formula: C19 H26 N2 O4
• Calculated formula: C19 H26 N2 O4
• Title of publication: Enantioselective Deprotonative Ring Contraction of N1-Methyl-N4-Boc-benzo[e][1,4]diazepine-2,5-diones.
• Authors of publication: Antolak, Stephanie A.; Yao, Zhong-Ke; Richoux, Gary M.; Slebodnick, Carla; Carlier, Paul R.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 5204 - 5207
• a: 11.7191 ± 0.0002 Å
• b: 14.4137 ± 0.0003 Å
• c: 22.2809 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3763.59 ± 0.12 ų
• Cell temperature: 99.9 ± 0.14 K
• Ambient diffraction temperature: 99.9 ± 0.14 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: 0.0402
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No