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Information card for entry 1513132
Preview
Coordinates | 1513132.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H18 |
---|---|
Calculated formula | C19 H18 |
SMILES | C1(C(=CC=C1c1ccccc1)c1ccccc1)(C)C |
Title of publication | Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems |
Authors of publication | Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino |
Journal of publication | Organic Letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 23 |
Pages of publication | 5970 |
a | 15.9505 ± 0.0004 Å |
b | 14.6663 ± 0.0004 Å |
c | 5.851 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1368.75 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 2 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.028 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for significantly intense reflections | 0.075 |
Weighted residual factors for all reflections included in the refinement | 0.075 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1513132.html
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