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Information card for entry 4003956
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Coordinates | 4003956.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H26 |
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Calculated formula | C184 H104 |
Title of publication | B2N2-Doped Dibenzo[a,m]Rubicene: Modular Synthesis, Properties, and Coordination-Induced Color Tunability |
Authors of publication | Sakamaki, Takumi; Nakamuro, Takayuki; Yamashita, Keitaro; Hirata, Kunio; Shang, Rui; Nakamura, Eiichi |
Journal of publication | Chemistry of Materials |
Year of publication | 2021 |
a | 20.69 Å |
b | 6.2 Å |
c | 22 Å |
α | 90° |
β | 92.09° |
γ | 90° |
Cell volume | 2820.24 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 2 |
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 | 0.0574 |
Residual factor for significantly intense reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.1409 |
Weighted residual factors for all reflections included in the refinement | 0.1429 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.7 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
266500 (current) | 2021-06-17 | cif/ Adding structures of 4003956 via cif-deposit CGI script. |
4003956.cif |
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