Information card for entry 7124828

Structure parameters

• Chemical name: acenaphtho[3',2',1',8':9,10,11,12]chryseno[2,1-b]benzo[d]thiophene
• Formula: C30 H14 S
• Calculated formula: C30 H14 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: 9.2775 ± 0.0006 Å
• b: 26.8593 ± 0.0015 Å
• c: 7.3125 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1822.18 ± 0.18 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No