Crystallography Open Database

Information card for entry 1504513

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Structure parameters

Common name	07226a
Formula	C22 H31 N O4
Calculated formula	C22 H31 N O4
SMILES	O=C1OC[C@H](N1[C@H]1[C@@H]([C@@H]1CCCCC)C(=O)OC(C)(C)C)c1ccccc1
Title of publication	A mutually pi-facial selective cyclopropanation of chiral enamides using dirhodium(II) carbenoids.
Authors of publication	Lu, Ting; Song, Zhenlei; Hsung, Richard P.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	4
Pages of publication	541 - 544
a	6.0884 ± 0.0005 Å
b	16.1018 ± 0.0013 Å
c	21.8321 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2140.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0422
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1504513.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.	1504513.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504513.cif
42129	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504513 via cif-deposit CGI script.	1504513.cif