Structure–property relationship studies of 3-acyl-substituted furans: the serendipitous identification and characterization of a new non-classical hydrogen bond donor moiety
Authors of publication
Rodrigues, Daniel A.; Pinheiro, Pedro de Sena M.; S. Sagrillo, Fernanda; R. Freitas, Maria Clara; A. Alves, Marina; Thota, Sreekanth; Tinoco, Luzineide W.; Magalhães, Alvicler; Sant’Anna, Carlos M. R.; Fraga, Carlos A. M.
Journal of publication
New Journal of Chemistry
Year of publication
2020
Journal volume
44
Journal issue
26
Pages of publication
10994 - 11005
a
4.8356 ± 0.0008 Å
b
19.976 ± 0.004 Å
c
12.518 ± 0.003 Å
α
90°
β
95.013 ± 0.005°
γ
90°
Cell volume
1204.6 ± 0.4 Å3
Cell temperature
293 K
Ambient diffraction temperature
293 K
Number of distinct elements
5
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/n 1
Hall space group symbol
-P 2yn
Residual factor for all reflections
0.1608
Residual factor for significantly intense reflections
0.0649
Weighted residual factors for significantly intense reflections
0.0955
Weighted residual factors for all reflections included in the refinement
0.1226
Goodness-of-fit parameter for all reflections included in the refinement
