Information card for entry 4021104

Structure parameters

• Formula: C18 H16
• Calculated formula: C18 H16
• SMILES: [C@H]12[C@](c3ccccc3)([C@]3([C@@H]1C3)c1ccccc1)C2.[C@@H]12[C@@](c3ccccc3)([C@@]3([C@H]1C3)c1ccccc1)C2
• 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: 10.625 ± 0.002 Å
• b: 17.084 ± 0.006 Å
• c: 7.5931 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1378.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 2
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No