Information card for entry 2008993

Structure parameters

• Formula: C44 H36 Cl2 N2 O7
• Calculated formula: C44 H36 Cl2 N2 O7
• SMILES: O=C1c2ccccc2C[C@@]21Nc1c([C@]3([C@@H]2c2ccccc2C3=O)C2=C(Nc3cc(OC)cc(OC)c3)C(=O)c3c2cccc3)c(OC)cc(OC)c1.O=C1c2ccccc2C[C@]21Nc1c([C@@]3([C@H]2c2ccccc2C3=O)C2=C(Nc3cc(OC)cc(OC)c3)C(=O)c3c2cccc3)c(OC)cc(OC)c1.ClCCl.ClCCl
• 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: 7.9574 ± 0.0001 Å
• b: 19.4192 ± 0.0003 Å
• c: 24.2174 ± 0.0004 Å
• α: 90°
• β: 91.406 ± 0.002°
• γ: 90°
• Cell volume: 3741.1 ± 0.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No