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Information card for entry 4030090
Preview
Coordinates | 4030090.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H35 N3 O2 |
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Calculated formula | C34 H35 N3 O2 |
SMILES | O=C1N2C[C@H]2[C@H](N([C@H]1Cc1cc2ccccc2cc1)Cc1ccc(cc1)c1ccccc1)C(=O)NC(C)(C)C |
Title of publication | Stereocontrolled Disruption of the Ugi Reaction toward the Production of Chiral Piperazinones: Substrate Scope and Process Development. |
Authors of publication | Zaretsky, Serge; Adachi, Shinya; Rotstein, Benjamin H.; Hickey, Jennifer L.; Scully, Conor C. G.; St Denis, Jeffrey D.; Courtemanche, Rebecca; Yu, Joy C. Y.; Chung, Benjamin K. W.; Yudin, Andrei K. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 21 |
Pages of publication | 9948 |
a | 6.3049 ± 0.0004 Å |
b | 7.6994 ± 0.0005 Å |
c | 14.4602 ± 0.0008 Å |
α | 102.437 ± 0.003° |
β | 91.851 ± 0.003° |
γ | 90.341 ± 0.003° |
Cell volume | 685.07 ± 0.07 Å3 |
Cell temperature | 147 ± 2 K |
Ambient diffraction temperature | 147 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0303 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.0775 |
Weighted residual factors for all reflections included in the refinement | 0.0776 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4030090.html
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