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Information card for entry 2229122
Preview
Coordinates | 2229122.cif |
---|---|
Structure factors | 2229122.hkl |
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | Bis(piperidin-1-yl)methanone |
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Formula | C11 H20 N2 O |
Calculated formula | C11 H20 N2 O |
SMILES | O=C(N1CCCCC1)N1CCCCC1 |
Title of publication | Bis(piperidin-1-yl)methanone |
Authors of publication | Betz, Richard; Gerber, Thomas; Schalekamp, Henk |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 2 |
Pages of publication | o397 |
a | 6.2193 ± 0.0002 Å |
b | 8.8411 ± 0.0004 Å |
c | 9.9699 ± 0.0004 Å |
α | 90° |
β | 90.791 ± 0.001° |
γ | 90° |
Cell volume | 548.15 ± 0.04 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0303 |
Residual factor for significantly intense reflections | 0.0297 |
Weighted residual factors for significantly intense reflections | 0.0804 |
Weighted residual factors for all reflections included in the refinement | 0.081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
201978 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2229122.cif 2229122.hkl |
181212 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/91. |
2229122.cif 2229122.hkl |
176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229122.cif 2229122.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229122.cif 2229122.hkl |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2229122.cif 2229122.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229122.cif 2229122.hkl |
14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229122.cif 2229122.hkl |
12151 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229122 via cif-deposit CGI script. |
2229122.cif |
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Users of the data should acknowledge the original authors of the
structural data.