Crystallography Open Database

Information card for entry 1505927

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Structure parameters

Formula	C20 H24 N4 O7
Calculated formula	C20 H24 N4 O7
SMILES	O=C(O)c1ccc(cc1)NC(=O)c1ccc(cc1)N(=O)=O.O=CN(C)C.O=CN(C)C
Title of publication	Solid-phase synthesis of oligo(p-benzamide) foldamers.
Authors of publication	König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	9
Pages of publication	1819 - 1822
a	9.129 ± 0.006 Å
b	12.031 ± 0.003 Å
c	9.871 ± 0.007 Å
α	90°
β	102.28 ± 0.03°
γ	90°
Cell volume	1059.3 ± 1.1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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 all reflections	0.0705
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1671
Weighted residual factors for all reflections included in the refinement	0.1721
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
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.	1505927.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.	1505927.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505927.cif
47859	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505927, 1505928, 1505929, 1505930 via cif-deposit CGI script.	1505927.cif