Information card for entry 1544749

Structure parameters

• Formula: C10 Cl8
• Calculated formula: C10 Cl8
• Title of publication: A heuristic approach to evaluate <i>peri</i> interactions <i>versus</i> intermolecular interactions in an overcrowded naphthalene
• Authors of publication: Sarkar, Sounak; Row, Tayur N. Guru
• Journal of publication: IUCrJ
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 1
• a: 9.7188 ± 0.0001 Å
• b: 7.1598 ± 0.0001 Å
• c: 18.2787 ± 0.0003 Å
• α: 90°
• β: 98.358 ± 0.001°
• γ: 90°
• Cell volume: 1258.41 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.042
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No