Information card for entry 4034394

Structure parameters

• Formula: C51 H38 Cl4
• Calculated formula: C51 H38 Cl4
• Title of publication: Synthesis, Characterization, and Solid-State Structure of [8]Cycloparaphenylenes with Inherent Chirality.
• Authors of publication: Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Soriente, Annunziata; Geremia, Silvano; Hickey, Neal; Neri, Placido; Gaeta, Carmine
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 15
• Pages of publication: 9489 - 9496
• a: 15.485 ± 0.003 Å
• b: 9.779 ± 0.004 Å
• c: 26.384 ± 0.004 Å
• α: 90°
• β: 96.527 ± 0.003°
• γ: 90°
• Cell volume: 3969.4 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.2565
• Weighted residual factors for all reflections included in the refinement: 0.2725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No