Information card for entry 7104201

Structure parameters

• Formula: C22 H13 Cl O2
• Calculated formula: C22 H13 Cl O2
• SMILES: C1(=O)C(=CC(=O)C=C1)Cl.c1ccc2c3c4c(ccc13)cccc4cc2
• Title of publication: Supramolecular chirality measured by diffuse reflectance circular dichroism spectroscopy.
• Authors of publication: Asano, Natsuyo; Harada, Takunori; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 899 - 901
• a: 7.5714 ± 0.0003 Å
• b: 7.5714 ± 0.0003 Å
• c: 26.8898 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1541.49 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No