Information card for entry 7124829

Structure parameters

• Chemical name: acenaphtho[3,2,1,8-stuva]picen-8-yl(methyl)sulfane
• Formula: C29 H16 S
• Calculated formula: C29 H16 S
• Title of publication: A photochemical approach to aromatic extension of the corannulene nucleus.
• Authors of publication: Rajeshkumar, Venkatachalam; Stuparu, Mihaiela C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 64
• Pages of publication: 9957 - 9960
• a: 14.111 ± 0.005 Å
• b: 7.318 ± 0.003 Å
• c: 18.169 ± 0.007 Å
• α: 90°
• β: 100.411 ± 0.01°
• γ: 90°
• Cell volume: 1845.3 ± 1.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2103
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No