Information card for entry 1534123

Structure parameters

• Formula: C47 H48 N4 O8
• Calculated formula: C47 H48 N4 O8
• SMILES: O/C(=C\C(=O)[C@@H]1[C@H]2N(CCC2)[C@@]2(C(=O)N(c3c2cccc3)C)[C@H]1c1cc(OC)c(O)cc1)[C@H]1[C@@H]([C@@H]2N(CCC2)[C@]21c1ccccc1N(C2=O)C)c1ccc(O)c(OC)c1.O/C(=C\C(=O)[C@H]1[C@@H]2N(CCC2)[C@]2(C(=O)N(c3c2cccc3)C)[C@@H]1c1cc(OC)c(O)cc1)[C@@H]1[C@H]([C@H]2N(CCC2)[C@@]21c1ccccc1N(C2=O)C)c1ccc(O)c(OC)c1
• Title of publication: Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.
• Authors of publication: Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 4440 - 4443
• a: 13.787 ± 0.002 Å
• b: 14.6 ± 0.003 Å
• c: 24.867 ± 0.004 Å
• α: 90°
• β: 105.219 ± 0.011°
• γ: 90°
• Cell volume: 4829.9 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.2199
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.2478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No