C-Trp
Cytosine-1-yl-(2-carboxyethyl)-L-tryptophan hexahydrates M.Doi, M.Tarui, M.Ogata, A.Asano & T.Ishida (1998) Acta Crystallogr. Sect.C, 54, 1941-1943. This study was supported by the Grant-in-Aid for Scientific Research 07672427 from the Ministry of Education, Science, Sports and Culture. |
This structer was produced by RasMol, and stucked by GifBuilder (Yves Piguet, 1997) |
formula | 2(C18H19N5O4).6H2O | ||
weight | 383.37 | ||
symmetry | triclinic | ||
space group | P1 | ||
Cell | Crystal | ||
a | 9.2046(7) Ang. | description | plate/td> |
b | 14.780(2) Ang. | colour | Colorless |
c | 7.4927(13) Ang. | size (mm) | 0.5x0.2x0.05 |
alpha | 101.095(13) deg. | Dx (g/ml) | 1.280 |
beta | 96.250(10) deg. | F(000) | 448 |
gamma | 88.715(10) deg. | mu(CuKa) | 0.931 |
volume | 994.4(2) Ang^3 | ||
Z | 2 | ||
Refinement | Diffrn measurement | ||
Flack | -0.2(3) | device type | Rigaku AFC5R/RU-200 |
parameters | 362 | decay | 0.4 % |
restraints | 3 | index limit | 0-h-10,-17-k-17,-8-L-8 |
R_factor_all | 0.0615 | theta (deg.) | 3.05 - 62.59 |
R_factor_gt | 0.0605 | total reflections | 3411 |
wR_factor_ref | 0.1543 | reflections(obs) | 3377 .gt. 2sigma(I) |
wR_factor_gt | 0.1531 | Structure | |
shift/su_max | 0.009 | solution | SnB |
shift/su_mean | 0.002 | refinement | SHELXL-93 |