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Information card for entry 4519006
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Coordinates | 4519006.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Py-MBP |
---|---|
Formula | C72 H50 N4 O5 |
Calculated formula | C72 H50 N4 O5 |
Title of publication | Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans. |
Authors of publication | Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha |
Journal of publication | ACS omega |
Year of publication | 2021 |
Journal volume | 6 |
Journal issue | 32 |
Pages of publication | 21113 - 21124 |
a | 21.622 ± 0.001 Å |
b | 14.9773 ± 0.001 Å |
c | 16.9507 ± 0.0009 Å |
α | 90° |
β | 107.267 ± 0.002° |
γ | 90° |
Cell volume | 5241.9 ± 0.5 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1004 |
Residual factor for significantly intense reflections | 0.0517 |
Weighted residual factors for significantly intense reflections | 0.1044 |
Weighted residual factors for all reflections included in the refinement | 0.115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4519006.html
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structural data.