Information card for entry 7064210

Structure parameters

• Formula: C7 H5 Cl2 N O Se
• Calculated formula: C7 H5 Cl2 N O Se
• Title of publication: From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati
• Authors of publication: MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 3.9116 ± 0.0002 Å
• b: 15.1339 ± 0.0008 Å
• c: 14.4893 ± 0.0008 Å
• α: 90°
• β: 94.788 ± 0.003°
• γ: 90°
• Cell volume: 854.74 ± 0.08 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No