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Information card for entry 7156685
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Coordinates | 7156685.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H23 Br O3 |
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Calculated formula | C24 H23 Br O3 |
Title of publication | Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution. |
Authors of publication | Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2019 |
Journal volume | 17 |
Journal issue | 10 |
Pages of publication | 2670 - 2683 |
a | 5.8561 ± 0.0005 Å |
b | 8.9674 ± 0.0008 Å |
c | 10.0618 ± 0.0009 Å |
α | 94.232 ± 0.007° |
β | 97.739 ± 0.007° |
γ | 98.721 ± 0.007° |
Cell volume | 515.12 ± 0.08 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0618 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.0997 |
Weighted residual factors for all reflections included in the refinement | 0.1119 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7156685.html
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Users of the data should acknowledge the original authors of the
structural data.