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Information card for entry 4024067
Preview
Coordinates | 4024067.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H33 N5 O5 |
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Calculated formula | C32 H33 N5 O5 |
SMILES | O=C1c2c([nH]c3ccccc23)c2[nH]c3ccccc3c2[C@H]([C@@H]1C(=O)N)c1c(O)cccc1.O=CN(C)C.O=CN(C)C.O=C1c2c([nH]c3ccccc23)c2[nH]c3ccccc3c2[C@@H]([C@H]1C(=O)N)c1c(O)cccc1.O=CN(C)C.O=CN(C)C |
Title of publication | Synthetic Applications of Cyanoacetylated Bisindoles: Synthesis of Novel Cycloheptadiindoles, Indolocarbazoles, and Related Aza Analogues |
Authors of publication | Niklas Wahlström; Johnny Slätt; Birgitta Stensland; Anne Ertan; Jan Bergman; Tomasz Janosik |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 5886 - 5889 |
a | 12.19 ± 0.001 Å |
b | 15.244 ± 0.001 Å |
c | 17.299 ± 0.001 Å |
α | 87.518 ± 0.01° |
β | 71.966 ± 0.01° |
γ | 82.401 ± 0.01° |
Cell volume | 3029.8 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1842 |
Residual factor for significantly intense reflections | 0.0661 |
Weighted residual factors for significantly intense reflections | 0.1676 |
Weighted residual factors for all reflections included in the refinement | 0.2035 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.838 |
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/4024067.html
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Users of the data should acknowledge the original authors of the
structural data.