Crystallography Open Database

Information card for entry 7224364

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Structure parameters

Formula	C18 H19 N O5
Calculated formula	C18 H19 N O5
SMILES	Cc1ccc(cc1)C(=O)c1cc(C(=O)OCC)[nH]c1C(=O)OCC
Title of publication	A Straightforward Sequence to Alkyl 1H-Pyrrole-2,5-dicarboxylates Starting from Acylhydrazono esters and Alkyl 2-Aroyl-1-chlorocyclopropanecarboxylates
Authors of publication	gong, Yuefa; Huang, Zhimei
Journal of publication	RSC Adv.
Year of publication	2016
a	7.782 ± 0.0012 Å
b	12.3602 ± 0.0019 Å
c	17.89 ± 0.003 Å
α	90°
β	98.316 ± 0.002°
γ	90°
Cell volume	1702.7 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.0764
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1543
Weighted residual factors for all reflections included in the refinement	0.1761
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7224364.cif
206489	2018-02-18	cif/7 Fixing some Z values and formulae	7224364.cif
176831	2016-02-23	cif/ Adding structures of 7224364 via cif-deposit CGI script.	7224364.cif