Information card for entry 2001230

Structure parameters

• Formula: C28 H22
• Calculated formula: C28 H22
• SMILES: c12c3ccccc3c3ccccc3c1[C@H]1[C@H]3C=C[C@H](CC3)[C@@H]2c2c1cccc2
• Title of publication: Structure of <i>syn</i>-7,8-benzo-9,10-(9',10'-phenanthro)tricyclo[4.2.2.2^2,5^]dodeca-3,7,9-triene
• Authors of publication: Jedrzejas, M. J.; Kingu, C. S.; Baker, R. J.; Towns, R. L. R.; Masnovi, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1963 - 1965
• a: 10.472 ± 0.005 Å
• b: 11.279 ± 0.006 Å
• c: 16.358 ± 0.008 Å
• α: 90°
• β: 104.45 ± 0.04°
• γ: 90°
• Cell volume: 1871 ± 1.7 ų
• Cell temperature: 298 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 1.735
• Diffraction radiation wavelength: 0.70926 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No