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Information card for entry 4125737
Preview
Coordinates | 4125737.cif |
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Original paper (by DOI) | HTML |
Formula | C42.5 H33 Cl N2 O2 |
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Calculated formula | C42 H32.5 N2 O2 |
Title of publication | Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines. |
Authors of publication | Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 4 |
Pages of publication | 1636 - 1644 |
a | 32.3784 ± 0.0006 Å |
b | 9.7018 ± 0.0002 Å |
c | 20.6093 ± 0.0003 Å |
α | 90° |
β | 93.171 ± 0.0006° |
γ | 90° |
Cell volume | 6464.1 ± 0.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.063 |
Residual factor for significantly intense reflections | 0.0571 |
Weighted residual factors for significantly intense reflections | 0.1533 |
Weighted residual factors for all reflections included in the refinement | 0.1594 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4125737.html
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Users of the data should acknowledge the original authors of the
structural data.