Information card for entry 2000294

Structure parameters

• Formula: C27 H32 N2 O7
• Calculated formula: C27.5 H32 N2 O7
• SMILES: Cc1ccccc1.COC(=O)[C@@H]1CC2(OCCO2)[C@H]2[C@@]3([C@H]1CCN(C3=O)Cc1ccccc1)C[C@H]1N2C(=O)OC1
• Title of publication: Structure of methyl (4a<i>S</i>,5<i>R</i>,7a<i>R</i>,11a<i>R</i>,12a<i>S</i>)-2-benzyl-2,3,4,4a,5,6,7,7a,8,10,11a,12-dodecahydro-7,7-(ethylenedioxy)-1,9-dioxooxazolo[3',4':1,2]pyrrolo[5,4-<i>i</i>]isoquinoline-5-carboxylate toluene (2/1)
• Authors of publication: Driessen, R. A. J.; Fraanje, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 1554 - 1557
• a: 11.076 ± 0.001 Å
• b: 11.314 ± 0.001 Å
• c: 12.155 ± 0.001 Å
• α: 104.41 ± 0.01°
• β: 102.02 ± 0.01°
• γ: 89.37 ± 0.01°
• Cell volume: 1441.6 ± 0.2 ų
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No