Information card for entry 4027896

Structure parameters

• Formula: C14 H14 N2 O7
• Calculated formula: C14 H14 N2 O7
• Title of publication: Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies
• Authors of publication: Simbarashe Ngwerume; William Lewis; Jason E. Camp
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 920 - 934
• a: 7.86962 ± 0.00017 Å
• b: 12.1226 ± 0.0003 Å
• c: 15.534 ± 0.0003 Å
• α: 90°
• β: 97.5363 ± 0.0019°
• γ: 90°
• Cell volume: 1469.15 ± 0.06 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No