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Information card for entry 7211968
Preview
Coordinates | 7211968.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Methyl 2-(9H-carbazol-9-yl)benzoate |
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Formula | C20 H15 N O2 |
Calculated formula | C20 H15 N O2 |
SMILES | n1(c2ccccc2c2ccccc12)c1c(cccc1)C(=O)OC |
Title of publication | Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure |
Authors of publication | Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 9 |
Pages of publication | 2520 |
a | 7.1346 ± 0.0006 Å |
b | 14.165 ± 0.002 Å |
c | 50.433 ± 0.008 Å |
α | 90° |
β | 89.88 ± 0.009° |
γ | 90° |
Cell volume | 5096.8 ± 1.2 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Ambient diffracton pressure | 3700000 kPa |
Number of distinct elements | 4 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 |
Hall space group symbol | P -2yac |
Residual factor for all reflections | 0.1203 |
Residual factor for significantly intense reflections | 0.0839 |
Weighted residual factors for all reflections | 0.1336 |
Weighted residual factors for significantly intense reflections | 0.089 |
Weighted residual factors for all reflections included in the refinement | 0.089 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0078 |
Diffraction radiation wavelength | 0.4762 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7211968.html
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