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Information card for entry 1555291
Preview
Coordinates | 1555291.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H22 Cl N2 O2 P S |
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Calculated formula | C28 H22 Cl N2 O2 P S |
SMILES | Clc1cc2C(=NP(=S)(c3ccccc3)c3ccccc3)/C(=O)N(Cc3ccc(OC)cc3)c2cc1 |
Title of publication | Stereoselective Total Synthesis of KAE609 via Direct Catalytic Asymmetric Alkynylation to Ketimine. |
Authors of publication | Takada, Hisashi; Kumagai, Naoya; Shibasaki, Masakatsu |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 19 |
Pages of publication | 4762 - 4765 |
a | 9.87691 ± 0.00018 Å |
b | 17.4624 ± 0.0003 Å |
c | 14.111 ± 0.0003 Å |
α | 90° |
β | 101.632 ± 0.007° |
γ | 90° |
Cell volume | 2383.81 ± 0.1 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0572 |
Residual factor for significantly intense reflections | 0.0474 |
Weighted residual factors for significantly intense reflections | 0.1232 |
Weighted residual factors for all reflections included in the refinement | 0.1292 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
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/1555291.html
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