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Information card for entry 7150714
Preview
Coordinates | 7150714.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 08084 |
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Formula | C14 H15 N O2 |
Calculated formula | C14 H15 N O2 |
SMILES | O=C1OC[C@@H](N1[C@@H]1CC21CC2)c1ccccc1 |
Title of publication | Synthesis of amido-spiro[2.2]pentanes via Simmons‒Smith cyclopropanation of allenamides |
Authors of publication | Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2009 |
Journal volume | 7 |
Journal issue | 16 |
Pages of publication | 3331 - 3337 |
a | 6.2295 ± 0.0004 Å |
b | 11.8164 ± 0.0007 Å |
c | 12.8744 ± 0.0008 Å |
α | 84.547 ± 0.001° |
β | 86.582 ± 0.001° |
γ | 76.412 ± 0.001° |
Cell volume | 916.31 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0424 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.0732 |
Weighted residual factors for all reflections included in the refinement | 0.0793 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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