Information card for entry 8100278

Structure parameters

• Formula: C32 H28 N2 O3
• Calculated formula: C32 H28 N2 O3
• SMILES: C1(=O)c2ccccc2[C@@H](N1CCc1ccccc1)N(CCc1ccccc1)[C@@H]1c2c(C(=O)O1)cccc2.C1(=O)c2ccccc2[C@H](N1CCc1ccccc1)N(CCc1ccccc1)[C@H]1c2c(C(=O)O1)cccc2
• Title of publication: Crystal structure of 3-[(3-oxo-1,3-dihydro-isobenzofuran-1-yl)-phenethyl- amino]-2-phenethyl-2,3-dihydro-isoindol-1-one, C~32~H~28~N~2~O~3~
• Authors of publication: Sobarzo-Sánchez, Eduardo; Cassels, Bruce K.; Castedo, Luis; Valencia-Matarranz, Laura
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 1
• Pages of publication: 81 - 82
• a: 8.648 ± 0.008 Å
• b: 10.274 ± 0.01 Å
• c: 15.309 ± 0.016 Å
• α: 80.69 ± 0.03°
• β: 73.714 ± 0.019°
• γ: 84.131 ± 0.019°
• Cell volume: 1286 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No