Crystallography Open Database

Information card for entry 4114374

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Structure parameters

Formula	C24 H39 N3 O5
Calculated formula	C24 H39 N3 O5
Title of publication	A Reverse Turn Structure Induced by ad,l-α-Aminoxy Acid Dimer
Authors of publication	Dan Yang; Jin Qu; Wei Li; De-Ping Wang; Yi Ren; Yun-Dong Wu
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	14452 - 14457
a	9.175 ± 0.002 Å
b	13.37 ± 0.002 Å
c	11.119 ± 0.002 Å
α	90°
β	103.68 ± 0.02°
γ	90°
Cell volume	1325.3 ± 0.4 Å³
Cell temperature	301.2 K
Ambient diffraction temperature	301.2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0821
Weighted residual factors for significantly intense reflections	0.1046
Goodness-of-fit parameter for significantly intense reflections	1.747
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4114374.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4114374.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114374.cif
67687	2012-10-02	cif/ Adding structures of 4114374 via cif-deposit CGI script.	4114374.cif