Information card for entry 7151117

Structure parameters

• Formula: C23 H16
• Calculated formula: C23 H16
• SMILES: c1cccc2c1c1c3c(c2)cccc3[C@@H]2c3ccccc3C[C@H]12
• Title of publication: Joining the rings: the preparation of 2- and 3-indenyl-triptycenes, and curious related processes.
• Authors of publication: Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 1952 - 1960
• a: 23.6218 ± 0.0016 Å
• b: 23.6218 ± 0.0016 Å
• c: 4.7492 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2295 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1986
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.376
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No