Crystallography Open Database

Information card for entry 1504892

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Structure parameters

Formula	C22 H24 Cl N O6
Calculated formula	C22 H24 Cl N O6
SMILES	c1cccc2c1C(=O)N([C@@H](C(C)C)C(=O)OC)[C@@H]([C@H]2C(=O)O)c1ccc(cc1)Cl.O
Title of publication	Trans-stereoselectivity in the reaction between homophthalic anhydride and imines.
Authors of publication	Vara, Yosu; Bello, Tamara; Aldaba, Eneko; Arrieta, Ana; Pizarro, José L; Arriortua, María I; Lopez, Xabier; Cossío, Fernando P
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	21
Pages of publication	4759 - 4762
a	10.227 ± 0.001 Å
b	7.534 ± 0.001 Å
c	29.237 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2252.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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 all reflections	0.0449
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	0.936
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1504892.cif
176729	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.	1504892.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504892.cif
42440	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504890, 1504891, 1504892, 1504893 via cif-deposit CGI script.	1504892.cif