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Information card for entry 8105012
Preview
Coordinates | 8105012.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H27 N3 O2 |
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Calculated formula | C27 H27 N3 O2 |
Title of publication | Crystal structure of 2-(3-(2-(4-phenylpiperazin-1-yl)ethyl)benzyl)isoindoline-1,3-dione, C27H27N3O2 |
Authors of publication | Feng, Aiqing; Lv, Bin |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2019 |
Journal volume | 235 |
Journal issue | 1 |
Pages of publication | 49 - 51 |
a | 6.9263 ± 0.0004 Å |
b | 10.0832 ± 0.0007 Å |
c | 17.3531 ± 0.001 Å |
α | 75.708 ± 0.005° |
β | 87.142 ± 0.005° |
γ | 74.935 ± 0.006° |
Cell volume | 1133.92 ± 0.13 Å3 |
Cell temperature | 289.36 ± 0.1 K |
Ambient diffraction temperature | 289.36 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.08 |
Residual factor for significantly intense reflections | 0.0605 |
Weighted residual factors for significantly intense reflections | 0.1488 |
Weighted residual factors for all reflections included in the refinement | 0.1661 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0262 |
Diffraction radiation probe | x-ray |
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/8105012.html
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