Information card for entry 7226485

Structure parameters

• Chemical name: 4'-Hydroxy-3'-(4-methoxybenzoyl)-1'-phenyl-2H,4H-spiro-[furo[3,2-c]chromene-3,2'-pyrrole]-2,4,5'(1'H)-trione
• Formula: C28 H17 N O8
• Calculated formula: C28 H17 N O8
• SMILES: O=c1oc2c(c3OC(=O)C4(N(C(=O)C(=C4C(=O)c4ccc(OC)cc4)O)c4ccccc4)c13)cccc2
• Title of publication: Spiro-condensation of 5-methoxycarbonyl-1H-pyrrole-2,3-diones with cyclic enoles to form spiro substituted furo[3,2-c]-coumarins and quinolines
• Authors of publication: Dubovtsev, Alexey Yu.; Silaichev, Pavel S.; Nazarov, Mikhail A.; Dmitriev, Maksim V.; Maslivets, Andrey N.; Rubin, Michael
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 88
• Pages of publication: 84730
• a: 8.2673 ± 0.0011 Å
• b: 18.169 ± 0.003 Å
• c: 14.955 ± 0.002 Å
• α: 90°
• β: 91.962 ± 0.013°
• γ: 90°
• Cell volume: 2245.1 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No