Information card for entry 1504090

Structure parameters

• Chemical name: 10-benzoyl-9-phenyltetracyclo[5.2.1.0(2,9).0(3,6)]dec-4-ene-2-carboxaldehyde
• Formula: C24 H20 O2
• Calculated formula: C24 H20 O2
• SMILES: O=C(c1ccccc1)[C@H]1[C@@H]2[C@@]3(c4ccccc4)[C@@]2([C@H]2[C@@H]([C@@H]1C3)C=C2)C=O.O=C(c1ccccc1)[C@@H]1[C@H]2[C@]3(c4ccccc4)[C@]2([C@@H]2[C@H]([C@H]1C3)C=C2)C=O
• Title of publication: Harvesting the strain installed by a Paternò-Büchi step in a synthetically useful way: high-yielding photoprotolytic oxametathesis in polycyclic systems.
• Authors of publication: Valiulin, Roman A.; Kutateladze, Andrei G.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 17
• Pages of publication: 3886 - 3889
• a: 19.0037 ± 0.0005 Å
• b: 35.6919 ± 0.001 Å
• c: 10.5937 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7185.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No