Table 2. Experimental details for NaOMe, NaOEt, NaOnPr, NaOnBu and NaOnAm.
| NaOMe (Weiss, 1964 ▸) | NaOEt | NaOnPr | NaOnBu | NaOnAm | |
|---|---|---|---|---|---|
| Crystal data | |||||
| Chemical formula | CH3ONa | C2H5ONa | C3H7ONa | C4H9ONa | C5H11ONa |
| CCDC number | – | 1943793 | 1998221 | 1998220 | 1998219 |
| M r | 54.02 | 68.05 | 82.08 | 96.10 | 109.12 |
| Crystal system | Tetragonal | Tetragonal | Tetragonal | Tetragonal | Tetragonal |
| Space group (No.) | P4/nmm (129) |
P
 21
m (113) |
P4/nmm (129) | P4/nmm (129) | P4/nmm (129) |
| Z, Z′ | 2, 
|
2, 
|
2,
|
2,
|
2,
|
| Temperature (K) | 298 | 298 | 298 | 298 | 298 |
| a (Å) | 4.343 (5) | 4.41084 (4) | 4. 38439 (5) | 4.43232 (9) | 4.4084 (2) |
| c (Å) | 7.432 (10) | 9.06779 (17) | 12.1431 (3) | 14.0143 (9) | 16.9376 (12) |
| V (Å3) | 140.2 (2) | 176.418 (5) | 233.426 (8) | 275.318 (19) | 329.16 (4) |
| ρcalc (103 kg m−3) | 1.28 | 1.28 | 1.17 | 1.16 | 1.11 |
| Radiation type | Cu Kα | Cu Kα 1 | Cu Kα 1 | Cu Kα 1 | Cu Kα 1 |
| Wavelength (Å) | 1.5418 | 1.5406 | 1.5406 | 1.5406 | 1.5406 |
| μ (mm−1) | – | 1.845 | 1.473 | 1.314 | 1.154 |
| Data collection | |||||
| Diffractometer | Goniometer with counting tube | Stoe Stadi-P | Stoe Stadi-P | Stoe Stadi-P | Stoe Stadi-P |
| Specimen mounting | Powder in N2 stream between polymer films | 1.0 mm glass capillary | 1.0 mm glass capillary | 1.0 mm glass capillary | 1.0 mm glass capillary |
| Data collection mode | Transmission | Transmission | Transmission | Transmission | Transmission |
| Detector | Counting tube | Linear position-sensitive | Linear position-sensitive | Linear position-sensitive | Linear position-sensitive |
| 2θmin (°) | 11 | 2.0 | 2.0 | 2.0 | 2.0 |
| 2θmax (°) | 103 | 80.0 | 100 | 100 | 100 |
| 2θstep (°) | – | 0.01 | 0.01 | 0.01 | 0.01 |
| Refinement | |||||
| R p | 0.159 | 0.0233 | 0.0373 | 0.0347 | 0.0376 |
| R wp | – | 0.0339 | 0.0479 | 0.0471 | 0.0535 |
| R exp | – | 0.0214 | 0.0295 | 0.0240 | 0.0273 |
| R p′(a) | – | 0.133 | 0.161 | 0.175 | 0.120 |
| R wp′(a) | – | 0.134 | 0.159 | 0.187 | 0.158 |
| R exp′(a) | – | 0.085 | 0.0981 | 0.0951 | 0.0806 |
| Goodness-of-fit | – | 1.42 | 1.62 | 1.96 | 1.96 |
| No. of data points | 64 observed intensities | 7800 | 9800 | 9800 | 9800 |
| No. of parameters | 4 | 40 | 56 | 61 | 72 |
| No. of restraints | 0 | 8 | 11 | 21 | 26 |
| H-atom treatment | f H included in C atom | Refined with restraints | Refined with restraints | Refined with restraints | Refined with restraints |
Note: (a) R p′, R wp′ and R exp′ values are background-corrected data according to Coelho (2018).