Information card for entry 7160497

Structure parameters

• Formula: C21 H24 N2 O5
• Calculated formula: C21 H24 N2 O5
• Title of publication: A simple route to 2,3-benzodiazepines from substituted indenes.
• Authors of publication: Tarasova, Ekaterina S.; Shurupova, Olga V.; Rzhevskiy, Sergey A.; Minaeva, Lidiya I.; Topchiy, Maxim A.; Asachenko, Andrey F.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 19
• Pages of publication: 4710 - 4717
• a: 7.6144 ± 0.0009 Å
• b: 9.7829 ± 0.0011 Å
• c: 14.133 ± 0.0015 Å
• α: 78.875 ± 0.005°
• β: 83.922 ± 0.004°
• γ: 70.003 ± 0.004°
• Cell volume: 969.81 ± 0.19 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No