Information card for entry 2006267

Structure parameters

• Formula: C34 H42 O2
• Calculated formula: C34 H42 O2
• SMILES: O=C1[C@@H]([C@@H]([C@H]([C@@H]2C(=O)[C@]3(C([C@@H]2CC3)(C)C)C)c2ccccc2)c2ccccc2)[C@@H]2C([C@@]1(C)CC2)(C)C
• Title of publication: Two Related Benzylcamphor Dimers
• Authors of publication: Suh, Il-Hwan; Choi, Sungjo; Lewis, David E.; Jensen, William P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 963 - 967
• a: 10.6524 ± 0.0012 Å
• b: 10.6524 ± 0.0012 Å
• c: 25.548 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2899 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.027
• Goodness-of-fit parameter for significantly intense reflections: 2.18
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No