Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7246237
Preview
Coordinates | 7246237.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (2E,5E)-2-benzylidene-5-(2,3-dimethoxybenzylidene)cyclopentanone |
---|---|
Formula | C21 H20 O3 |
Calculated formula | C21 H20 O3 |
Title of publication | Acid catalyzed one-pot approach towards the synthesis of curcuminoid systems: unsymmetrical diarylidene cycloalkanones, exploration of their single crystals, optical and nonlinear optical properties |
Authors of publication | Ali, Akbar; Din, Zia Ud; Ibrahim, Muhammad; Ashfaq, Muhammad; Muhammad, Shabbir; Gull, Dania; Tahir, Muhammad Nawaz; Rodrigues-Filho, Edson; Al-Sehemi, Abdullah G.; Suleman, Muhammad |
Journal of publication | RSC Advances |
Year of publication | 2023 |
Journal volume | 13 |
Journal issue | 7 |
Pages of publication | 4476 - 4494 |
a | 16.154 ± 0.002 Å |
b | 6.9813 ± 0.001 Å |
c | 28.997 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3270.2 ± 0.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0623 |
Residual factor for significantly intense reflections | 0.0547 |
Weighted residual factors for significantly intense reflections | 0.1123 |
Weighted residual factors for all reflections included in the refinement | 0.1161 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.159 |
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/7246237.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.