Crystallography Open Database

Information card for entry 1518645

Preview

Coordinates	1518645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H35 N3 O2
Calculated formula	C24 H35 N3 O2
SMILES	[C@@H]1(CC(=CC(=O)N1)N[C@@H]([C@@H](C)CC)C1=N[C@H](CO1)[C@@H](C)CC)Cc1ccccc1
Title of publication	Protein-Protein Interface Mimicry by an Oxazoline Piperidine-2,4-dione.
Authors of publication	Li, Xun; Taechalertpaisarn, Jaru; Xin, Dongyue; Burgess, Kevin
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	3
Pages of publication	632 - 635
a	12.8948 ± 0.0011 Å
b	9.7854 ± 0.0008 Å
c	18.3889 ± 0.0016 Å
α	90°
β	94.667 ± 0.006°
γ	90°
Cell volume	2312.6 ± 0.3 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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 all reflections	0.1065
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1565
Weighted residual factors for all reflections included in the refinement	0.1819
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
214153 (current)	2019-03-18	cif/1 Fixing Z values and formulae	1518645.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.	1518645.cif
132997	2015-03-04	cif/ Updating files of 1518645 Original log message: Adding full bibliography for 1518645.cif.	1518645.cif
130871	2015-02-04	cif/ Adding structures of 1518645 via cif-deposit CGI script.	1518645.cif