Information card for entry 7153651

Structure parameters

• Formula: C14 H18 O
• Calculated formula: C14.0008 H18.0008 O1.0001
• Title of publication: A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.
• Authors of publication: Olbrich, Martin; Mayer, Peter; Trauner, Dirk
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 108 - 112
• a: 6.2093 ± 0.0004 Å
• b: 8.3668 ± 0.0005 Å
• c: 11.145 ± 0.0005 Å
• α: 74.54 ± 0.003°
• β: 89.252 ± 0.003°
• γ: 68.175 ± 0.003°
• Cell volume: 515.65 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No