Information card for entry 7131023

Structure parameters

• Formula: C48 H28
• Calculated formula: C48 H28
• Title of publication: Transformation of π-conjugated macrocycles: from furanophanes to napthalenophanes.
• Authors of publication: Rajagopal, Shinaj K.; Dishi, Or; Bogoslavsky, Benny; Gidron, Ori
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• a: 8.0162 ± 0.0004 Å
• b: 7.6603 ± 0.0006 Å
• c: 25.2391 ± 0.0019 Å
• α: 90°
• β: 90.158 ± 0.005°
• γ: 90°
• Cell volume: 1549.84 ± 0.19 ų
• Cell temperature: 297.7 ± 1 K
• Ambient diffraction temperature: 297.7 ± 1 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No