Crystallography Open Database

Information card for entry 4026537

Preview

Coordinates	4026537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 N O4
Calculated formula	C19 H19 N O4
SMILES	N(c1ccccc1)[C@H]1c2ccccc2O[C@@]1(C(=O)C)C(=O)OCC.N(c1ccccc1)[C@@H]1c2ccccc2O[C@]1(C(=O)C)C(=O)OCC
Title of publication	K2CO3-Promoted Domino Reactions: Construction of Functionalized 2,3-Dihydrobenzofurans and Clofibrate Analogues
Authors of publication	Qu-Bo Li; Fei-Ting Zhou; Zheng-Geng Liu; Xue-Feng Li; Wei-Dong Zhu; Jian-Wu Xie
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	7222 - 7228
a	7.9833 ± 0.0005 Å
b	11.209 ± 0.0007 Å
c	11.4737 ± 0.0012 Å
α	116.08 ± 0.006°
β	91.797 ± 0.006°
γ	109.652 ± 0.004°
Cell volume	848.75 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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 significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1429
Weighted residual factors for all reflections included in the refinement	0.1664
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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