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Information card for entry 2300729
Preview
Coordinates | 2300729.cif |
---|---|
Structure factors | 2300729.hkl |
Original paper (by DOI) | HTML |
Common name | MBFP |
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Chemical name | 2,5-bis(3-bromophenyl)furan |
Formula | C16 H10 Br2 O |
Calculated formula | C16 H10 Br2 O |
Title of publication | Bending the bonds: unveiling halogen interactions in the elastic polymorph of 2,5-bis(3-bromophenyl)furan |
Authors of publication | Dyk, Konrad; Kinzhybalo, Vasyl; Horak, Yuriy; Butenko, Serhii; Siczek, Miłosz; Kamiński, Daniel M. |
Journal of publication | Journal of Applied Crystallography |
Year of publication | 2024 |
Journal volume | 57 |
Journal issue | 1 |
a | 3.9774 ± 0.0001 Å |
b | 10.7746 ± 0.0002 Å |
c | 31.2387 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1338.73 ± 0.05 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0315 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.0811 |
Weighted residual factors for all reflections included in the refinement | 0.0815 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
289170 (current) | 2024-01-20 | cif/ hkl/ Adding structures of 2300727, 2300728, 2300729 via cif-deposit CGI script. |
2300729.cif 2300729.hkl |
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Users of the data should acknowledge the original authors of the
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