Information card for entry 2000757

Structure parameters

• Formula: C27 H28 N2 O4
• Calculated formula: C27 H28 N2 O4
• SMILES: O=C1Oc2c(N1C)cc1c(c2)CCN(C1Cc1ccc(c(c1)OC)OC)Cc1ccccc1
• Title of publication: Structure of 6-benzyl-5-(3,4-dimethoxybenzyl)-3-methyl-5,6,7,8-tetrahydro-3<i>H</i>-oxazolo[5,4-<i>g</i>]isoquinolin-2-one
• Authors of publication: Warin, V.; Lamiot, J.; Baert, F.; Ait Mansour, H.; Houssin, R.; Lesieur, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 7
• Pages of publication: 1243 - 1246
• a: 7.961 ± 0.005 Å
• b: 11.863 ± 0.006 Å
• c: 24.873 ± 0.008 Å
• α: 90°
• β: 92.29 ± 0.01°
• γ: 90°
• Cell volume: 2347 ± 2 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No