Information card for entry 1558953

Structure parameters

• Common name: Chiral Triptycene
• Formula: C28 H28 O2
• Calculated formula: C28 H28 O2
• SMILES: O=C(OC)CC(C12c3ccccc3C(c3c(ccc(c13)C)C)c1c2cccc1)(C)C
• Title of publication: Chiral Triptycenes Owing their Chirality to Hindered Rotation of a Bridgehead Substituent. Crystal Structure, Chromatographic Enantiomer Resolution, and Circular Dichroism Spectra
• Authors of publication: Isaksson, Roland; Oki, Michinori; Sandstrom, Jan; Suissa, M. Rachel; Toyota, Shinji
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1993
• Journal volume: 47
• Pages of publication: 570 - 576
• a: 11.673 ± 0.002 Å
• b: 17.598 ± 0.003 Å
• c: 11.376 ± 0.002 Å
• α: 90°
• β: 113.93 ± 0.01°
• γ: 90°
• Cell volume: 2136 ± 0.7 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 2.97
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No