Information card for entry 1516711

Structure parameters

• Formula: C24 H22 O
• Calculated formula: C24 H22 O
• SMILES: O1[C@@H]2c3c(cc(c(c3)C)C)[C@]31[C@]1([C@@H]2c2c1cc(c(c2)C)C)C=CC=C3.O1[C@H]2c3c(cc(c(c3)C)C)[C@@]31[C@@]1([C@H]2c2c1cc(c(c2)C)C)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: 7.9519 ± 0.0017 Å
• b: 12.792 ± 0.003 Å
• c: 17.476 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1777.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No