Information card for entry 1506685

Structure parameters

• Formula: C12 H8 O4
• Calculated formula: C12 H8 O4
• Title of publication: Tautomerization in naphthalenediimines: a keto-enamine Schiff base macrocycle.
• Authors of publication: Gallant, Amanda J.; Yun, Michael; Sauer, Marc; Yeung, Charles S.; MacLachlan, Mark J.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 22
• Pages of publication: 4827 - 4830
• a: 10.126 ± 0.005 Å
• b: 14.618 ± 0.005 Å
• c: 18.704 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2768.6 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1243
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.683
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No