Information card for entry 4021103

Structure parameters

• Formula: C23 H22
• Calculated formula: C23 H22
• SMILES: [C@@]12(c3ccccc3)[C@@H]([C@H]1[C@H]1[C@H](c3ccccc3)C1)[C@@H]1C[C@H]2C=C1.[C@]12(c3ccccc3)[C@H]([C@@H]1[C@@H]1[C@@H](c3ccccc3)C1)[C@@H]1C=C[C@H]2C1.[C@]12(c3ccccc3)[C@H]([C@@H]1[C@@H]1[C@@H](c3ccccc3)C1)[C@H]1C[C@@H]2C=C1.[C@@]12(c3ccccc3)[C@@H]([C@H]1[C@H]1[C@H](c3ccccc3)C1)[C@H]1C=C[C@@H]2C1
• Title of publication: Novel Ene Trimerization of 1-Phenylcyclopropene
• Authors of publication: Gon-Ann Lee; Chih-Yi Chang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 8949 - 8951
• a: 9.8109 ± 0.001 Å
• b: 10.142 ± 0.002 Å
• c: 17.835 ± 0.002 Å
• α: 79.941 ± 0.011°
• β: 79.903 ± 0.007°
• γ: 89.979 ± 0.011°
• Cell volume: 1719.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No