|
Guanine |
 |
Thewalt U, Bugg C E, Marsh R E |
 |
Acta Crystallographica B27 (1971) 2358-2362 |
|
The crystal structure of guanine monohydrate |
|
Locality: synthetic |
|
16.510 11.277 3.645 90 96.8 90 P2_1/n |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
C2 .3647 .6773 .5778 .0023 .0051 .0267 -.0008 -.0002 .0011 |
|
C4 .3887 .4858 .6803 .0016 .0048 .0484 -.0006 -.0027 .0011 |
|
C5 .3144 .4494 .4931 .0020 .0049 .0475 -.0008 -.0013 -.0055 |
|
C6 .2595 .5352 .3327 .0022 .0059 .0483 .0016 -.0005 -.0038 |
|
C8 .3783 .2917 .6938 .0030 .0059 .0413 -.0003 -.0026 .0008 |
|
H1 .437 .827 .723 2.5 |
|
H2 .35 .861 .48 2.5 |
|
H3 .254 .718 .274 2.5 |
|
H4 .393 .205 .746 2.5 |
|
H5 .483 .38 .963 2.5 |
|
H6 .59 .945 .804 2.5 |
|
H7 .51 .982 .933 .5 6.0 |
|
H8 .51 .982 .576 .5 6.0 |
|
N1 .2901 .6502 .3896 .0019 .0040 .0276 .0005 -.0060 -.0017 |
|
N2 .3838 .7923 .5891 .0027 .0030 .0946 -.0008 -.0169 .0067 |
|
N3 .4167 .5989 .7350 .0013 .0038 .0283 .0002 -.0089 .0070 |
|
N7 .3093 .3251 .5023 .0025 .0044 .0250 -.0003 -.0026 .0008 |
|
N9 .4284 .3849 .8053 .0017 .0048 .0431 -.0003 -.0098 .0001 |
|
O6 .1912 .5187 .1593 .0015 .0075 .0368 .0001 -.0070 -.0070 |
|
O10 .5341 .9396 .7668 .0039 .0202 .3190 -.0018 .0197 .0168 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
