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Information card for entry 4505147
Preview
Coordinates | 4505147.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (S)-N-(1-hydroxymethyl-2-phenylethyl)-4-(1,2,3,4-tetra hydro-1,4-methanonaphthalene-9-carbonyl)benzamide |
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Formula | C28 H27 N O3 |
Calculated formula | C28 H27 N O3 |
SMILES | O=C(C1[C@@H]2c3c(cccc3)[C@H]1CC2)c1ccc(cc1)C(=O)N[C@H](CO)Cc1ccccc1 |
Title of publication | Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored |
Authors of publication | Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2005 |
Journal volume | 5 |
Journal issue | 6 |
Pages of publication | 2348 |
a | 46.067 ± 0.008 Å |
b | 7.01 ± 0.001 Å |
c | 14.141 ± 0.002 Å |
α | 90° |
β | 107.076 ± 0.003° |
γ | 90° |
Cell volume | 4365.2 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.154 |
Residual factor for significantly intense reflections | 0.0597 |
Weighted residual factors for significantly intense reflections | 0.0922 |
Weighted residual factors for all reflections included in the refinement | 0.1185 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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