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Information card for entry 4106961
Preview
Coordinates | 4106961.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H12 |
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Calculated formula | C32 H12 |
SMILES | c1c2c3c4c5c(cc3)ccc3c6cccc7c6c6c8c9c(c(c2c9c4c6c53)cc1)ccc78 |
Title of publication | Synthesis and Structural Analysis of a Highly Curved Buckybowl Containing Corannulene and Sumanene Fragments |
Authors of publication | Tsun-Cheng Wu; Hsin-Ju Hsin; Ming-Yu Kuo; Ching-Hsiu Li; Yao-Ting Wu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 16319 - 16321 |
a | 17.7727 ± 0.0008 Å |
b | 12.6382 ± 0.0006 Å |
c | 8.1349 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1827.22 ± 0.15 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 2 |
Space group number | 36 |
Hermann-Mauguin space group symbol | C m c 21 |
Hall space group symbol | C 2c -2 |
Residual factor for all reflections | 0.0414 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.077 |
Weighted residual factors for all reflections included in the refinement | 0.0819 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
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/4106961.html
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Users of the data should acknowledge the original authors of the
structural data.