Information card for entry 4038960

Structure parameters

• Formula: C19 H14 N2 O4
• Calculated formula: C19 H14 N2 O4
• SMILES: c1(c(c2c3c(c4c(cccc4)n2n1)cccc3)C(=O)OC)C(=O)OC
• Title of publication: Rearrangements of 3H-PyrazolesAdducts of Dimethyl Acetylenedicarboxylate with Diphenyldiazomethane and 9-Diazofluorene
• Authors of publication: Vasin, V.A.; Razin, V.V.; Bezrukova, E.V.; Popkova, Yu.A.; Somov, N.V.
• Journal of publication: Russian Journal of Organic Chemistry
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 892 - 900
• a: 12.653 ± 0.002 Å
• b: 7.2325 ± 0.0005 Å
• c: 23.507 ± 0.004 Å
• α: 90°
• β: 132.96 ± 0.03°
• γ: 90°
• Cell volume: 1574.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No