Information card for entry 7232648

Structure parameters

• Formula: C40 H26 Cl2 N2 O5
• Calculated formula: C40 H26 Cl2 N2 O5
• Title of publication: Metal-free and benign approach for the synthesis of dihydro-5′H-spiro[benzo[c]chromene-8,4′-oxazole]-5′,6(7H)-dione scaffolds as masked amino acids
• Authors of publication: Shafiee, Behnaz; Duffield, Joseph; Timm, Rudy; Liyanage, Rohana; Lay, Jackson O.; Khosropour, Ahmad R.; Amiri Rudbari, Hadi; Beyzavi, M. Hassan
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 10
• Pages of publication: 2656
• a: 9.9687 ± 0.0008 Å
• b: 14.9432 ± 0.0011 Å
• c: 24.3238 ± 0.0017 Å
• α: 92.312 ± 0.002°
• β: 97.145 ± 0.002°
• γ: 107.847 ± 0.002°
• Cell volume: 3410.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1961
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.2183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No