Information card for entry 2243714

Structure parameters

• Chemical name: 2,2'-{[(2-Nitrobenzyl)azanediyl}bis(propane-3,1-diyl)}bis[1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione]
• Formula: C29 H26 N4 O6
• Calculated formula: C29 H26 N4 O6
• SMILES: C1(=O)c2ccccc2C(=O)N1CCCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1N(=O)=O
• Title of publication: Crystal structure of 2,2'-{[(2-nitrobenzyl)azanediyl]bis(propane-3,1-diyl)}bis[1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione]
• Authors of publication: Holmberg, Ryne; Franz, Vanessa; Moser, Kristen M.; Solano, Ricardo; Moore, Curtis; Rheingold, Arnold L.; Smith, Gary L. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 2
• Pages of publication: 83 - 85
• a: 7.8576 ± 0.001 Å
• b: 12.3468 ± 0.0015 Å
• c: 14.1147 ± 0.0017 Å
• α: 94.295 ± 0.001°
• β: 104.603 ± 0.001°
• γ: 101.042 ± 0.001°
• Cell volume: 1289.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0843
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No