Information card for entry 7107314

Structure parameters

• Formula: C14 H13 N
• Calculated formula: C14 H13 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: 6.0339 ± 0.0007 Å
• b: 7.6092 ± 0.0009 Å
• c: 23.135 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1062.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No