Information card for entry 8100265

Structure parameters

• Formula: C28 H32 N2 O5
• Calculated formula: C28 H32 N2 O5
• SMILES: C1(=O)N(C(c2c1cccc2)NCCc1ccc(c(c1)OC)OC)CCc1cc(c(cc1)OC)OC
• Title of publication: Crystal structure of 2-[(3,4-dimethoxy)-phenethyl-3-(3,4-dimethoxy)- phenethylamino]-2,3-dihydro-isoindol-1-one, C~28~H~32~N~2~O~5~
• 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: 79 - 80
• a: 9.5162 ± 0.0006 Å
• b: 16.0013 ± 0.0009 Å
• c: 17.8001 ± 0.0008 Å
• α: 90°
• β: 102.883 ± 0.006°
• γ: 90°
• Cell volume: 2642.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No