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Information card for entry 4021983
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4021983.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C93 H105 B3 |
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Calculated formula | C93 H105 B3 |
SMILES | B(c1cc2c(cc1)c1c3c(c4c(cc(B(c5c(cc(cc5C)C)C)c5c(cc(cc5C)C)C)cc4)C3(CC)CC)c3c(c4c(cc(B(c5c(cc(cc5C)C)C)c5c(cc(cc5C)C)C)cc4)C3(CC)CC)c1C2(CC)CC)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
Title of publication | Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence |
Authors of publication | Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 7858 - 7861 |
a | 36.383 ± 0.004 Å |
b | 36.383 ± 0.004 Å |
c | 36.383 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 48160 ± 8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 220 |
Hermann-Mauguin space group symbol | I -4 3 d |
Hall space group symbol | I -4bd 2c 3 |
Residual factor for all reflections | 0.218 |
Residual factor for significantly intense reflections | 0.0693 |
Weighted residual factors for significantly intense reflections | 0.1625 |
Weighted residual factors for all reflections included in the refinement | 0.2256 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.879 |
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/4021983.html
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Users of the data should acknowledge the original authors of the
structural data.