Crystallography Open Database

Information card for entry 4025905

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Structure parameters

Formula	C16 H16 Cl N O4
Calculated formula	C16 H16 Cl N O4
SMILES	Clc1ccc([C@@H]2C3=C(O[C@H]2N(=O)=O)CC(C)(C)CC3=O)cc1
Title of publication	Facile Domino Access to Chiral Mono-, Bi-, and Tricyclic 2,3-Dihydrofurans
Authors of publication	Li-Ping Fan; Ping Li; Xin-Sheng Li; Dong-Cheng Xu; Meng-Meng Ge; Wei-Dong Zhu; Jian-Wu Xie
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	8716 - 8719
a	6.5771 ± 0.0002 Å
b	7.3843 ± 0.0002 Å
c	32.659 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1586.16 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4025905.cif
178438	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/59.	4025905.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4025905.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4025905.cif
11710	2011-02-16	../uploads/cif-deposit/cod/cif Adding structures of 4025905 via cif-deposit CGI script.	4025905.cif