Boc-homoserine(T)-OMe Date: Dec.2000 |
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ORTEP-III (Burnett, 1996) drawing
Paper: Crystal Structure of 2-[N-(tert-Butoxycarbonyl)amino]-4-(thymin-1-yl) butyric Acid Methyl Ester
Asano Akiko, Yoshio Katsuya, Masahiro Sasaki, Taizo Taniguchi, Hiroshi Hasegawa, and Mitsunobu Doi
Anal. Sci. 17, 361-362 (2001).
X-Ray Data Summary
| formula | C15 H23 N3 O6 | ||
| weight | 341.36 | ||
| symmetry | triclinic | ||
| space group | P1(-) | ||
| Cell | Crystal | ||
| a | 5.9350(5) Ang. | description | needle |
| b | 8.8423(11) Ang. | colour | Colorless |
| c | 16.248(2) Ang. | size (mm) | 0.2x0.026x0.019* |
| alpha | 92.945(7) deg. | Dx (g/ml) | 1.356 |
| beta | 94.080(8) deg. | F(000) | 364 |
| gamma | 99.811(8) deg. | mu | 0.105 |
| volume | 836.34(16) Ang^3 | ||
| Z | 2 | ||
| Diffrn measurement | Refinementspace | ||
| device type | Rigaku RAXIS-IV | Flack | - |
| X-ray source | SPring-8** | parameters | 217 |
| index limit | -7-h-7, -11-k-10, 0-L-19 | restraints | 0 |
| theta max (deg.) | 31.5 | R_factor_gt | 0.0560 |
| total reflections | 2986 | wR_factor_gt | 0.1526 |
| reflections(obs) | 2878 .gt. 2sigma(I) | dela rho_max | 0.581 e A^3 |
| Structure | space space space space space space | delta rho_min | -0.529 e A^3 |
| solution | SHELXS-97 | shift/su_max | lt.0.001 |
| refinement | SHELXL-97 | Goodness of fit | 1.121 |
* Since crystals were very thin (small), reflection data could not be measured in house.
** The machine times of SPring-8/BL24XU was provided from Hyogo Prefecture and Japan Synchrotron Radiation Research Institute (Approval No. C99A24XU-005N) .
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