Information card for entry 1534119

Structure parameters

• Formula: C53 H45 N2 O8
• Calculated formula: C53 H45 N2 O8
• SMILES: C(=C(\[C@@H]1[C@H]([C@@H]2CCCN2[C@]21C(=O)c1cccc3c1c2ccc3)c1ccc(c(c1)OC)O)O)/C(=O)[C@@H]1[C@H]([C@@H]2CCCN2[C@]21C(=O)c1cccc3c1c2ccc3)c1ccc(c(c1)OC)O
• 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: 11.4428 ± 0.0007 Å
• b: 15.4354 ± 0.0009 Å
• c: 24.3994 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4309.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No