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Information card for entry 4122284
Preview
Coordinates | 4122284.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H22 N4 O2 |
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Calculated formula | C34 H22 N4 O2 |
SMILES | c1(c(ccc2ccc3c(c12)nc1c(cccc1)n3)OC)c1c(ccc2ccc3c(c12)nc1c(cccc1)n3)OC |
Title of publication | Axial Chiral Bisbenzophenazines: Solid-State Self-Assembly via Halide Hydrogen Bonds Triggered by Linear Alkanes. |
Authors of publication | Metz, Alison E.; Podlesny, Erin E.; Carroll, Patrick J.; Klinghoffer, Ariel N.; Kozlowski, Marisa C. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 30 |
Pages of publication | 10601 - 10604 |
a | 11.7278 ± 0.0005 Å |
b | 18.4783 ± 0.0008 Å |
c | 23.7323 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5143 ± 0.4 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 1 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0443 |
Residual factor for significantly intense reflections | 0.0334 |
Weighted residual factors for significantly intense reflections | 0.0824 |
Weighted residual factors for all reflections included in the refinement | 0.0906 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/4122284.html
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