Information card for entry 1520706

Structure parameters

• Formula: C22 H20 N2 O3
• Calculated formula: C22 H20 N2 O3
• Title of publication: γ-Turn Mimicry with Benzodiazepinones and Pyrrolobenzodiazepinones Synthesized from a Common Amino Ketone Intermediate.
• Authors of publication: Dörr, Aurélie A; Lubell, William D.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 3592 - 3595
• a: 15.2406 ± 0.0006 Å
• b: 5.6664 ± 0.0002 Å
• c: 20.6863 ± 0.0009 Å
• α: 90°
• β: 94.254 ± 0.002°
• γ: 90°
• Cell volume: 1781.53 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0455
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No