Information card for entry 7131716

Structure parameters

• Formula: C43 H28 Cl14 Sb2
• Calculated formula: C43 H28 Cl14 Sb2
• Title of publication: Synthesis and structural evaluation of closed-shell folded and open-shell twisted hexabenzo[5.6.7]quinarene.
• Authors of publication: Nishiuchi, Tomohiko; Uchida, Kazuyuki; Kubo, Takashi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 48
• Pages of publication: 7379 - 7382
• a: 10.6573 ± 0.0002 Å
• b: 34.0386 ± 0.0006 Å
• c: 14.0166 ± 0.0002 Å
• α: 90°
• β: 97.905 ± 0.002°
• γ: 90°
• Cell volume: 5036.34 ± 0.15 ų
• Cell temperature: 120.15 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 4
• 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: 0.0737
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No