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Information card for entry 20000709
Preview
| Coordinates | 20000709.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H7 N O3 |
|---|---|
| Calculated formula | C4 H7 N O3 |
| Title of publication | Predicting spontaneous racemate resolution using recent developments in crystal structure prediction |
| Authors of publication | Kendrick, John; Gourlay, Matthew D.; Neumann, Marcus A.; Leusen, Frank J. J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 2391 - 2399 |
| a | 9.90864 Å |
| b | 8.743306 Å |
| c | 10.37925 Å |
| α | 90° |
| β | 142.563° |
| γ | 90° |
| Cell volume | 546.618 Å3 |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 518 (current) | 2016-02-03 | cif/ Adding structures of 20000638, 20000639, 20000640, 20000641, 20000642, 20000643, 20000644, 20000645, 20000646, 20000647, 20000648, 20000649, 20000650, 20000651, 20000652, 20000653, 20000654, 20000655, 20000656, 20000657, 20000658, 20000659, 20000660, 20000661, 20000662, 20000663, 20000664, 20000665, 20000666, 20000667, 20000668, 20000669, 20000670, 20000671, 20000672, 20000673, 20000674, 20000675, 20000676, 20000677, 20000678, 20000679, 20000680, 20000681, 20000682, 20000683, 20000684, 20000685, 20000686, 20000687, 20000688, 20000689, 20000690, 20000691, 20000692, 20000693, 20000694, 20000695, 20000696, 20000697, 20000698, 20000699, 20000700, 20000701, 20000702, 20000703, 20000704, 20000705, 20000706, 20000707, 20000708, 20000709, 20000710, 20000711, 20000712, 20000713, 20000714, 20000715, 20000716, 20000717, 20000718, 20000719, 20000720, 20000721, 20000722, 20000723, 20000724, 20000725, 20000726, 20000727, 20000728, 20000729, 20000730, 20000731, 20000732, 20000733, 20000734, 20000735, 20000736, 20000737, 20000738, 20000739, 20000740, 20000741, 20000742, 20000743, 20000744, 20000745, 20000746, 20000747, 20000748, 20000749, 20000750, 20000751, 20000752, 20000753, 20000754, 20000755, 20000756, 20000757, 20000758, 20000759, 20000760, 20000761, 20000762, 20000763, 20000764, 20000765, 20000766, 20000767, 20000768, 20000769, 20000770, 20000771, 20000772, 20000773, 20000774, 20000775, 20000776, 20000777, 20000778, 20000779, 20000780 via cif-deposit CGI script. |
20000709.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.