Information card for entry 2008992

Structure parameters

• Formula: C34 H28 N2 O6
• Calculated formula: C34 H28 N2 O6
• SMILES: O=C1c2c(C(=C1Nc1cc(OC)cc(OC)c1)C1=C(Nc3cc(OC)cc(OC)c3)C(=O)c3c1cccc3)cccc2
• Title of publication: Novel compounds from 1,2-indanedione and 3,5-dimethoxyaniline
• Authors of publication: Bruce Taylor; Patrick J. Carroll; Madeleine M. Joullié
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1733 - 1736
• a: 12.5262 ± 0.0009 Å
• b: 12.8058 ± 0.0007 Å
• c: 10.2263 ± 0.0005 Å
• α: 100.762 ± 0.004°
• β: 110.156 ± 0.003°
• γ: 110.603 ± 0.004°
• Cell volume: 1349.99 ± 0.16 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.073
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No