Crystallography Open Database

Information card for entry 1507050

Preview

Coordinates	1507050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 N2 O9
Calculated formula	C24 H20 N2 O9
SMILES	O1[C@H]([C@](O[C@H]1c1ccc(OC)cc1)(c1ccccc1)C(=O)OC)c1ccc(N(=O)=O)cc1N(=O)=O.O1[C@@H]([C@@](O[C@@H]1c1ccc(OC)cc1)(c1ccccc1)C(=O)OC)c1ccc(N(=O)=O)cc1N(=O)=O
Title of publication	Highly chemoselective 2,4,5-triaryl-1,3-dioxolane formation from intermolecular 1,3-dipolar addition of carbonyl ylide with aryl aldehydes.
Authors of publication	Lu, Chong-Dao; Chen, Zhi-Yong; Liu, Hui; Hu, Wen-Hao; Mi, Ai-Qiao
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	18
Pages of publication	3071 - 3074
a	10.471 ± 0.002 Å
b	9.614 ± 0.002 Å
c	22.286 ± 0.005 Å
α	90°
β	96.47 ± 0.02°
γ	90°
Cell volume	2229.2 ± 0.8 Å³
Cell temperature	302 ± 2 K
Ambient diffraction temperature	302 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	0.93
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507050.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507050.cif
51639	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507050 via cif-deposit CGI script.	1507050.cif