Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7246034
Preview
Coordinates | 7246034.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H24 N2 O7 |
---|---|
Calculated formula | C31 H24 N2 O7 |
Title of publication | Synthesis, spectroscopic, SC-XRD/DFT and non-linear optical (NLO) properties of chromene derivatives. |
Authors of publication | Arif, Nadia; Shafiq, Zahid; Noureen, Sajida; Khalid, Muhammad; Ashraf, Abida; Yaqub, Muhammad; Irshad, Shabana; Khan, Muhammad Usman; Arshad, Muhammad Nadeem; Carmo Braga, Ataualpa Albert; Ragab, Ahmed H.; Al-Mhyawi, Saedah R |
Journal of publication | RSC advances |
Year of publication | 2022 |
Journal volume | 13 |
Journal issue | 1 |
Pages of publication | 464 - 477 |
a | 9.1201 ± 0.0007 Å |
b | 11.5487 ± 0.0007 Å |
c | 12.581 ± 0.0008 Å |
α | 93.498 ± 0.002° |
β | 96.303 ± 0.003° |
γ | 100.317 ± 0.003° |
Cell volume | 1291.38 ± 0.15 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297.15 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 | 0.1369 |
Residual factor for significantly intense reflections | 0.0637 |
Weighted residual factors for significantly intense reflections | 0.1625 |
Weighted residual factors for all reflections included in the refinement | 0.2479 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.2177 |
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/7246034.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.