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Information card for entry 4081690
Preview
Coordinates | 4081690.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H35 Al N2 O |
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Calculated formula | C31 H35 Al N2 O |
SMILES | [Al]12([N](=C(C=C(N1c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)Oc1ccccc1C=C2 |
Title of publication | A Highly Chemoselective, Zr-Catalyzed C‒O Bond Functionalization of Benzofuran |
Authors of publication | Yow, Shuhui; Nako, Adi E.; Neveu, Léonard; White, Andrew J. P.; Crimmin, Mark R. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 19 |
Pages of publication | 5260 |
a | 35.1731 ± 0.001 Å |
b | 16.6491 ± 0.0004 Å |
c | 18.7399 ± 0.0005 Å |
α | 90° |
β | 96.397 ± 0.003° |
γ | 90° |
Cell volume | 10905.8 ± 0.5 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 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 | 0.0756 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.1221 |
Weighted residual factors for all reflections included in the refinement | 0.1386 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/4081690.html
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