Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8105413
Preview
Coordinates | 8105413.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H37 N5 O2 |
---|---|
Calculated formula | C38 H37 N5 O2 |
Title of publication | Crystal structure of (E)-3′,6′-bis(ethylamino)-2′,7′-dimethyl-2-(2-((quinolin-2-ylmethylene)amino)ethyl)spiro[isoindoline-1,9′-xanthen]-3-one, C38H37N5O2 |
Authors of publication | Chu, Yi-Xin; Li, Kai-Hao; Yang, Han-Huan; Yuan, Juan |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2020 |
Journal volume | 235 |
Journal issue | 5 |
Pages of publication | 1175 - 1177 |
a | 13.3575 ± 0.0002 Å |
b | 16.6645 ± 0.0003 Å |
c | 13.7678 ± 0.0002 Å |
α | 90° |
β | 96.489 ± 0.0014° |
γ | 90° |
Cell volume | 3045.02 ± 0.08 Å3 |
Cell temperature | 116.2 ± 0.4 K |
Ambient diffraction temperature | 116.2 ± 0.4 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.044 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0976 |
Weighted residual factors for all reflections included in the refinement | 0.1028 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/8105413.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.