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Information card for entry 7112099
Preview
Coordinates | 7112099.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H8 N2 |
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Calculated formula | C14 H8 N2 |
SMILES | c12c(cccc1)c1c(c3c(cccc3)n1)n2 |
Title of publication | Benzo[f]benzo[5,6]indolo[3,2-b]indole: a stable unsubstituted 4npi-electron acene with an antiaromatic 1,4-diazapentalene core |
Authors of publication | Li Qiu; Xuhui Zhuang; Na Zhao; Xiao Wang; Zengjian An; Zhenggang Lan; Xiaobo Wan |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 3324 |
a | 7.149 ± 0.002 Å |
b | 4.8716 ± 0.0016 Å |
c | 14.555 ± 0.005 Å |
α | 90° |
β | 98.578 ± 0.006° |
γ | 90° |
Cell volume | 501.2 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0856 |
Residual factor for significantly intense reflections | 0.0618 |
Weighted residual factors for significantly intense reflections | 0.1603 |
Weighted residual factors for all reflections included in the refinement | 0.1786 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7112099.html
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