Information card for entry 1534125

Structure parameters

• Formula: C45 H44 N4 O8
• Calculated formula: C45 H44 N4 O8
• SMILES: OC(=C\C(=O)[C@@H]1[C@H]([C@H]2N(CCC2)[C@]21C(=O)Nc1ccccc21)c1ccc(O)c(OC)c1)/[C@H]1[C@@H]([C@@H]2N(CCC2)[C@]21c1ccccc1NC2=O)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: 12.2439 ± 0.0017 Å
• b: 13.8398 ± 0.0016 Å
• c: 14.5323 ± 0.0018 Å
• α: 91.544 ± 0.009°
• β: 97.532 ± 0.009°
• γ: 110.103 ± 0.009°
• Cell volume: 2285.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1801
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1804
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No