Crystallography Open Database

Information card for entry 4034501

Preview

Structure parameters

Formula	C24 H25 N O7
Calculated formula	C24 H25 N O7
SMILES	O(C)c1c(OC)cc(CCn2c(c(c3ccc(OC)c(OC)c3)cc2C(=O)O)C=O)cc1
Title of publication	A Metal-Free Domino Process for Regioselective Synthesis of 1,2,4-Trisubstituted Pyrroles: Application toward the Formal Synthesis of Ningalin B.
Authors of publication	Kumar, Virendra; Awasthi, Annapurna; Metya, Abhisek; Khan, Tabrez
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	18
Pages of publication	11581 - 11595
a	7.362 ± 0.002 Å
b	8.473 ± 0.003 Å
c	18.02 ± 0.007 Å
α	101.258 ± 0.012°
β	98.436 ± 0.01°
γ	91.151 ± 0.011°
Cell volume	1089.1 ± 0.6 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2543
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.2246
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4034501.html