Information card for entry 2235583

Structure parameters

• Chemical name: Methyl 11-hydroxy-9-[1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-18-oxo- 10-oxa-2-azapentacyclo[9.7.0.0^1,8^.0^2,6^.0^12,17^]octadeca-12(17),13,15- triene-8-carboxylate
• Formula: C34 H32 N2 O8
• Calculated formula: C34 H32 N2 O8
• SMILES: c1(ccc(cc1)OC)N1[C@@H]([C@H](C1=O)Oc1ccccc1)[C@H]1[C@@]2([C@]3([C@](c4ccccc4C3=O)(O1)O)N1CCC[C@H]1C2)C(=O)OC.c1(ccc(cc1)OC)N1[C@H]([C@@H](C1=O)Oc1ccccc1)[C@@H]1[C@]2([C@@]3([C@@](c4ccccc4C3=O)(O1)O)N1CCC[C@@H]1C2)C(=O)OC
• Title of publication: Methyl 11-hydroxy-9-[1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-18-oxo-10-oxa-2-azapentacyclo[9.7.0.0^1,8^.0^2,6^.0^12,17^]octadeca-12(17),13,15-triene-8-carboxylate
• Authors of publication: Sundaramoorthy, S.; Rajesh, R.; Raghunathan, R.; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2200 - o2201
• a: 11.4251 ± 0.0013 Å
• b: 7.8362 ± 0.0008 Å
• c: 32.041 ± 0.004 Å
• α: 90°
• β: 91.313 ± 0.008°
• γ: 90°
• Cell volume: 2867.9 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1446
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes