Information card for entry 2000168

Structure parameters

• Formula: C16 H17.76 N O5.38
• Calculated formula: C16 H17.76 N O5.38
• SMILES: COC(=O)N1Cc2cc3OCOc3cc2[C@H]2[C@H]1CCC(=O)C2.O.COC(=O)N1Cc2cc3OCOc3cc2[C@@H]2[C@@H]1CCC(=O)C2.O
• Title of publication: Structure of methyl-8,9-methylenedioxy-2-oxo-1,2,3,4,4aα,5,6,10bβ-octahydrophenanthridine-5-carboxylate
• Authors of publication: Hua, D. H.; Saha, S.; Robinson, P. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 2737 - 2739
• a: 16.23 ± 0.01 Å
• b: 5.88 ± 0.01 Å
• c: 29.88 ± 0.02 Å
• α: 90°
• β: 96.61 ± 0.07°
• γ: 90°
• Cell volume: 2833 ± 5 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No