Information card for entry 7157162

Structure parameters

• Formula: C24 H19 N O8
• Calculated formula: C24 H19 N O8
• Title of publication: 3-Nitro-3,4-dihydrocoumarins: Valuable precursors for the synthesis of enantiomerically enriched masked quaternary α-amino acid derivatives with a 3,4-dihydrocoumarin scaffold
• Authors of publication: Lv, Dan; Zhao, Min; Wang, Youming; Zhou, Zhenghong
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2019
• a: 10.3112 ± 0.0001 Å
• b: 17.8036 ± 0.0002 Å
• c: 30.2278 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5549.11 ± 0.1 ų
• Cell temperature: 295.15 K
• Ambient diffraction temperature: 295.15 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: 0.0494
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No