Information card for entry 4123637

Structure parameters

• Formula: C14 H18
• Calculated formula: C14 H18
• Title of publication: Toward an Understanding of Diamond sp(2)-Defects with Unsaturated Diamondoid Oligomer Models.
• Authors of publication: Zhuk, Tatyana S.; Koso, Tatyana; Pashenko, Alexander E.; Hoc, Ngo Trung; Rodionov, Vladimir N.; Serafin, Michael; Schreiner, Peter R.; Fokin, Andrey A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 20
• Pages of publication: 6577 - 6586
• a: 12.2783 ± 0.0018 Å
• b: 6.565 ± 0.0007 Å
• c: 13.424 ± 0.002 Å
• α: 90°
• β: 112.714 ± 0.017°
• γ: 90°
• Cell volume: 998.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No