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Information card for entry 4036575
Preview
Coordinates | 4036575.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H26 O |
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Calculated formula | C27 H26 O |
SMILES | O(c1cccc2c1[C@@]1([C@@]3([C@]2(c2ccccc2[C@@]3(c2ccccc12)C)C)C)C)C.O(c1cccc2c1[C@]1([C@]3([C@@]2(c2ccccc2[C@]3(c2ccccc12)C)C)C)C)C |
Title of publication | o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions. |
Authors of publication | Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 6 |
Pages of publication | 2308 - 2319 |
a | 20.9274 ± 0.001 Å |
b | 15.0038 ± 0.0006 Å |
c | 6.3388 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1990.32 ± 0.18 Å3 |
Cell temperature | 291.73 ± 0.1 K |
Ambient diffraction temperature | 291.73 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n 21 a |
Hall space group symbol | P -2ac -2n |
Residual factor for all reflections | 0.1198 |
Residual factor for significantly intense reflections | 0.0816 |
Weighted residual factors for significantly intense reflections | 0.2159 |
Weighted residual factors for all reflections included in the refinement | 0.2766 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation probe | x-ray |
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/4036575.html
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Users of the data should acknowledge the original authors of the
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