| Identification Code | Compound G4 from Methanol |
|---|---|
| Emprical formula | C21 H18 N2 O2 |
| Crystal color | Red |
| Formula weight | 330.37 |
| Temperature | 293(2) K |
| Wavelength | 1.54178 Å |
| Crystal system | Orthorhombic |
| Space group | P212121 |
| a/Å | 10.1753(4) Å |
| b/Å | 11.8991(5) Å |
| c/Å | 13.4416(6) Å |
| α/ | 90.00 |
| β/ | 90.00 |
| γ/ | 90.00 |
| Volume/ Å | 1627.47(12) |
| Z | 4 |
| Ƿcalc g/cm3 | 1.348 Mg/m |
| μ/mm-1 | 0.701 mm |
| F(000) | 696 |
| 2θ range for data collection/ | 4.96 to 73.52 |
| Index ranges | -11<=h<=12, -9<=k<=14, -15<=l<=16 |
| Reflections collected | 4381 |
| Independent reflections | 2819 [R(int) = 0.0410] |
| Data/restraints/ parameters | 2819 / 0 / 227 |
| Goodness of fit on F2 | 0.959 |
| Final R indexes [I>=2σ (I)] | R1 = 0.0551, wR2 = 0.1361 |
| Final R indexes [all data] | R1 = 0.0541, wR2 = 0.1406 |
| Largest diff. peak/hole / eÅ-3 | 0.496 and -0.368 |