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Information card for entry 4080914
Preview
Coordinates | 4080914.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C7 H26 B11 N O Si |
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Calculated formula | C7 H26 B11 N O Si |
SMILES | [Si]1(OC(=[N+](C1)C)C)(C)C.[CH]1234[BH]567[BH]89%10[BH]%11%125[BH]5%138[BH]8%14%15[BH]%161([BH]128[BH]95%14[BH]47%101)[BH]%11%13%15[BH]36%12%16 |
Title of publication | Synthesis of Silaoxazolinium Salts Bearing Weakly Coordinating Anions: Structures and Catalytic Activities in the Aldol Reaction |
Authors of publication | Chandra Sheker Reddy, Anugu; Chen, Zhang; Hatanaka, Tohru; Minami, Tatsuya; Hatanaka, Yasuo |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 13 |
Pages of publication | 3575 |
a | 13.841 ± 0.004 Å |
b | 15.636 ± 0.005 Å |
c | 8.021 ± 0.006 Å |
α | 90° |
β | 90.04 ± 0.04° |
γ | 90° |
Cell volume | 1735.9 ± 1.5 Å3 |
Cell temperature | 203.2 K |
Ambient diffraction temperature | 203.2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.0629 |
Residual factor for significantly intense reflections | 0.0609 |
Weighted residual factors for significantly intense reflections | 0.17 |
Weighted residual factors for all reflections included in the refinement | 0.1722 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.7107 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/4080914.html
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Users of the data should acknowledge the original authors of the
structural data.