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Information card for entry 4106305
Preview
Coordinates | 4106305.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H65 B Cl N3 O4 |
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Calculated formula | C51 H65 B Cl N3 O4 |
SMILES | O1[B]2([O]=C(C=C1c1[nH]c(c3c1c1c(CC3)cccc1)C)c1[nH]c(c3c1c1c(CC3)cccc1)C)Oc1ccccc1O2.[Cl-].[N+](CCCC)(CCCC)(CCCC)CCCC |
Title of publication | Chemical-Stimuli-Controllable Circularly Polarized Luminescence from Anion-Responsive π-Conjugated Molecules |
Authors of publication | Hiromitsu Maeda; Yuya Bando; Konomi Shimomura; Ippei Yamada; Masanobu Naito; Kazuyuki Nobusawa; Hiroyuki Tsumatori; Tsuyoshi Kawai |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 9266 - 9269 |
a | 14.121 Å |
b | 9.324 Å |
c | 18.497 Å |
α | 90° |
β | 99.18° |
γ | 90° |
Cell volume | 2404.2 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1754 |
Residual factor for significantly intense reflections | 0.0971 |
Weighted residual factors for significantly intense reflections | 0.218 |
Weighted residual factors for all reflections included in the refinement | 0.2655 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
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/4106305.html
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