Information card for entry 7100508

Structure parameters

• Common name: 9-(9-Phenanthryl)tetracyclo(3.3.2.0(6,8).0(4,10))dec-2-en
• Formula: C24 H20
• Calculated formula: C48 H40
• SMILES: [C@H]12C=C[C@@H]3[C@H]([C@H]4C[C@@H]14)[C@@H]3[C@H]2c1c2ccccc2c2ccccc2c1.[C@@H]12C=C[C@H]3[C@@H]([C@@H]4C[C@H]14)[C@H]3[C@@H]2c1c2ccccc2c2ccccc2c1
• Title of publication: Palladium-catalyzed, stereoselective rearrangement of a tetracyclic allyl cyclopropane under arylation
• Authors of publication: Joerg Storsberg; Min-Liang Yao; Nueket Oecal; A.de Meijere; Arnold E.W. Adam; D.E.Kaufmann
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 22.183 ± 0.007 Å
• b: 6.6592 ± 0.0012 Å
• c: 22.362 ± 0.006 Å
• α: 90°
• β: 92.17 ± 0.02°
• γ: 90°
• Cell volume: 3300.9 ± 1.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No