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Information card for entry 1501946
Preview
Coordinates | 1501946.cif |
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Original paper (by DOI) | HTML |
Formula | C57 H54 N O6 P |
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Calculated formula | C57 H54 N O6 P |
SMILES | P(=O)(OCC)(OCC)N1c2c(cc(C(=C=C(c3ccccc3)c3ccccc3)c3ccccc3)c(OC)c2)C(=CC1(c1ccccc1)c1ccccc1)c1ccccc1.O=C(OCC)C |
Title of publication | Preparation of allenephosphoramide and its utility in the preparation of 4,9-dihydro-2h-benzo[f]isoindoles. |
Authors of publication | Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 5 |
Pages of publication | 940 - 943 |
a | 18.5397 ± 0.0008 Å |
b | 15.0248 ± 0.0006 Å |
c | 17.6084 ± 0.0008 Å |
α | 90° |
β | 103.518 ± 0.005° |
γ | 90° |
Cell volume | 4769 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0756 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.0988 |
Weighted residual factors for all reflections included in the refinement | 0.1062 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.898 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1501946.html
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