| Empirical formula | C31 H29 Cl N6 O8 |
| Formula weight | 649.05 |
| Temperature | 150(2) K |
| Wavelength | 0.71073 Å |
| Crystal system | Monoclinic |
| Space group | C2/c |
| Unit cell dimensions | a = 21.5885(3) Å, α = 90° |
| b = 11.7485(3) Å, β = 110.790(1)° | |
| c = 24.6939(6) Å, γ = 90° | |
| Volume | 5855.4(2) Å3 |
| Z | 8 |
| Density (calculated) | 1.473 Mg/m3 |
| Absorption coefficient | 0.195 mm-1 |
| F(000) | 2704 |
| Crystal size | 0.20 x 0.20 x 0.20 mm3 |
| Theta range for data collection | 2.90 to 27.47°. |
| Index ranges | -27<=h<=28, -14<=k<=15, -32<=l<=31 |
| Reflections collected | 12065 |
| Independent reflections | 6670 [R(int) = 0.0444] |
| Completeness to θ = 27.47° | 99.60% |
| Absorption correction | Empirical |
| Max. and min. transmission | 0.9620 and 0.9620 |
| Refinement method | Full-matrix least-squares on F2 |
| Data / restraints / parameters | 6670 / 9 / 441 |
| Goodness-of-fit on F2 | 1.035 |
| Final R indices [I ≥ 2σ(I)] | R1 = 0.0514, wR2 = 0.1087 |
| R indices (all data) | R1 = 0.0822, wR2 = 0.1231 |
| Extinction coefficient | 0.0067(3) |
| Largest diff. peak and hole | 0.245 and -0.454 e.Å-3 |