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Information card for entry 4067214
Preview
Coordinates | 4067214.cif |
---|---|
Original paper (by DOI) | HTML |
External links | PubChem |
Formula | C43 H25 B F15 N |
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Calculated formula | C43 H25 B F15 N |
SMILES | Fc1c(c(F)c(F)c(F)c1F)[B-](C#Cc1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[NH+](=C(c1ccccc1)c1ccccc1)C(C)(C)C |
Title of publication | Deprotonation and Addition Reactions of Frustrated Lewis Pairs with Alkynes |
Authors of publication | Dureen, Meghan A.; Brown, Christopher C.; Stephan, Douglas W. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 23 |
Pages of publication | 6594 |
a | 45.9136 ± 0.0016 Å |
b | 10.2766 ± 0.0004 Å |
c | 32.611 ± 0.0012 Å |
α | 90° |
β | 103.102 ± 0.002° |
γ | 90° |
Cell volume | 14986.5 ± 1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.0901 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for significantly intense reflections | 0.1209 |
Weighted residual factors for all reflections included in the refinement | 0.1426 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4067214.cif |
178563 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/72. |
4067214.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067214.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067214.cif |
34120 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067199, 4067200, 4067201, 4067202, 4067203, 4067204, 4067205, 4067206, 4067207, 4067208, 4067209, 4067210, 4067211, 4067212, 4067213, 4067214, 4067215, 4067216, 4067217, 4067218 via cif-deposit CGI script. |
4067214.cif |
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Users of the data should acknowledge the original authors of the
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