Information card for entry 1507330

Structure parameters

• Chemical name: JA034816M
• Formula: C50 H24 Cl8 O4
• Calculated formula: C50 H24 Cl8 O4
• Title of publication: Novel twin corannulene: synthesis and crystal structure determination of a dicorannulenobarrelene dicarboxylate.
• Authors of publication: Sygula, Andrzej; Sygula, Renata; Ellern, Arkady; Rabideau, Peter W.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 2595 - 2597
• a: 9.347 ± 0.002 Å
• b: 15.163 ± 0.004 Å
• c: 16.451 ± 0.004 Å
• α: 103.057 ± 0.004°
• β: 98.13 ± 0.004°
• γ: 106.156 ± 0.004°
• Cell volume: 2129 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No