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Information card for entry 4028804
Preview
Coordinates | 4028804.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H26 N2 O |
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Calculated formula | C28 H26 N2 O |
SMILES | O=C(Nc1c2ncccc2ccc1)C1[C@@H](c2ccc(C)cc2)C[C@H]1c1ccc(C)cc1 |
Title of publication | Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry |
Authors of publication | Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 11911 - 11934 |
a | 5.7023 ± 0.0014 Å |
b | 18.621 ± 0.004 Å |
c | 20.8 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2208.6 ± 0.9 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 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 | 0.1461 |
Residual factor for significantly intense reflections | 0.0669 |
Weighted residual factors for significantly intense reflections | 0.1428 |
Weighted residual factors for all reflections included in the refinement | 0.1876 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MOKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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