Information card for entry 1520705

Structure parameters

• Formula: C22 H22 N2 O3
• Calculated formula: C22 H22 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: 17.651 ± 0.0003 Å
• b: 15.5231 ± 0.0003 Å
• c: 13.7865 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3777.48 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0936
• 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: Yes
• Has Fobs: No