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Information card for entry 4036606
Preview
Coordinates | 4036606.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H25 Br O4 |
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Calculated formula | C29 H25 Br O4 |
SMILES | c1(ccc(cc1)[C@@H]1C2(C(=O)c3ccccc3C2=O)[C@H](c2ccccc2)[C@@H](C)C2(C1)OCCO2)Br |
Title of publication | Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones. |
Authors of publication | Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 6 |
Pages of publication | 2420 - 2431 |
a | 8.444 Å |
b | 11.055 Å |
c | 13.733 Å |
α | 98.62° |
β | 107.12° |
γ | 93° |
Cell volume | 1204.98 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0487 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.0904 |
Weighted residual factors for all reflections included in the refinement | 0.1143 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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