Information card for entry 1516710

Structure parameters

• Formula: C23 H16 O4
• Calculated formula: C23 H16 O4
• SMILES: c12OCOc2cc2c(c1)[C@]13[C@]4(c5cc6OCOc6cc5[C@@H]([C@H]21)C4)C=CC=C3.c12OCOc2cc2c(c1)[C@@]13[C@@]4(c5cc6OCOc6cc5[C@H]([C@@H]21)C4)C=CC=C3
• Title of publication: Tandem [4 + 2]/[2 + 2] cycloaddition reactions involving indene or benzofurans and arynes.
• Authors of publication: Bhojgude, Sachin Suresh; Thangaraj, Manikandan; Suresh, Eringathodi; Biju, Akkattu T.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 13
• Pages of publication: 3576 - 3579
• a: 6.737 ± 0.002 Å
• b: 10.853 ± 0.003 Å
• c: 12.232 ± 0.004 Å
• α: 80.759 ± 0.005°
• β: 86.793 ± 0.005°
• γ: 73.199 ± 0.005°
• Cell volume: 845 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1426
• Residual factor for significantly intense reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.2824
• Weighted residual factors for all reflections included in the refinement: 0.3222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No