Information card for entry 2237453

Structure parameters

• Chemical name: Methyl 11-hydroxy-9-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-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 O7
• Calculated formula: C34 H32 N2 O7
• SMILES: COc1ccc(cc1)N1[C@@H]([C@H](C1=O)c1ccccc1)[C@H]1[C@@]2([C@@]3(C(=O)c4ccccc4[C@@]3(O1)O)N1[C@H](C2)CCC1)C(=O)OC.COc1ccc(cc1)N1[C@H]([C@@H](C1=O)c1ccccc1)[C@@H]1[C@]2([C@]3(C(=O)c4ccccc4[C@]3(O1)O)N1[C@@H](C2)CCC1)C(=O)OC
• Title of publication: Methyl 11-hydroxy-9-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-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: Suhitha, Sivasubramanian; Srinivasan, Thothadri; Rajesh, Raju; Raghunathan, Raghavachary; Velmurugan, Devadasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o438 - o439
• a: 10.903 ± 0.0005 Å
• b: 11.8792 ± 0.0005 Å
• c: 22.4457 ± 0.001 Å
• α: 90°
• β: 93.963 ± 0.003°
• γ: 90°
• Cell volume: 2900.2 ± 0.2 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: 0.0744
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes