Information card for entry 7024322

Structure parameters

• Formula: C10 H10 N2 O
• Calculated formula: C10 H10 N2 O
• SMILES: c1ccc(Cc2ccc(C=O)[nH]2)[nH]1
• Title of publication: Exploring the redox reactivity of magnesium porphine. Insight into the origins of electropolymerisation.
• Authors of publication: Devillers, Charles H.; Lucas, Dominique; Dime, Abdou K. D.; Rousselin, Yoann; Mugnier, Yves
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 2404 - 2411
• a: 11.8435 ± 0.0005 Å
• b: 6.9555 ± 0.0002 Å
• c: 11.1256 ± 0.0004 Å
• α: 90°
• β: 106.47 ± 0.001°
• γ: 90°
• Cell volume: 878.89 ± 0.06 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 4
• 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: 0.0627
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No