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Information card for entry 1534119
Preview
Coordinates | 1534119.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H45 N2 O8 |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1534119.html
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Users of the data should acknowledge the original authors of the
structural data.