| 晶体学参数 | 晶体学和结构精修数据 |
| Empirical formula | C84 H60 Br2 N12 O37 |
| Formula weight | 1989.26 |
| Temperature | 100(2) K |
| Wavelength | 0.71073 Å |
| Crystal system | Orthorhombic |
| Space group | Fdd2 |
| Unit cell dimensions | a = 31.3454(14) Å α = 90˚. |
| b = 76.184(3) Å β = 90˚. | |
| c = 8.5608(3) Å γ = 90˚. | |
| Volume | 20443.3(14) Å3 |
| Z | 8 |
| Density (calculated) | 1.293 Mg/m3 |
| Absorption coefficient | 0.878 mm−1 |
| F(000) | 8112 |
| Crystal size | 0.4 × 0.15 × 0.1 mm3 |
| Theta range for data collection | 2.593˚ to 22.177˚. |
| Index ranges | −21 ≤ h ≤ 33, −80 ≤ k ≤ 73, −7 ≤ l ≤ 9 |
| Reflections collected | 17，417 |
| Independent reflections | 5958 [R(int) = 0.0249] |
| Completeness to theta = 22.177˚ | 99.7% |
| Refinement method | Full-matrix least-squares on F2 |
| Data/restraints/parameters | 5958/7/599 |
| Goodness-of-fit on F2 | 2.041 |
| Final R indices [I > 2sigma(I)] | R1 = 0.1038, wR2 = 0.2688 |
| R indices (all data) | R1 = 0.1172, wR2 = 0.2781 |
| Absolute structure parameter | 0.088(9) |
| Extinction coefficient | n/a |
| Largest diff. peak and hole | 0.825 and −0.457 e∙Å−3 |