Information card for entry 7107313

Structure parameters

• Formula: C13 H10 Cl N
• Calculated formula: C13 H10 Cl N
• Title of publication: A [2+2] cross-photodimerisation of photostable olefins via a three-component cocrystal solid solution
• Authors of publication: Dejan-Kresimir Bucar; Arundhuti Sen; S. V. Santhana Mariappan; L.R.MacGillivray
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1790
• a: 9.4815 ± 0.001 Å
• b: 9.6019 ± 0.0012 Å
• c: 14.2885 ± 0.0018 Å
• α: 71.745 ± 0.005°
• β: 76.746 ± 0.006°
• γ: 62.801 ± 0.005°
• Cell volume: 1093 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2106
• Residual factor for significantly intense reflections: 0.1168
• Weighted residual factors for significantly intense reflections: 0.2928
• Weighted residual factors for all reflections included in the refinement: 0.3451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No