Crystallography Open Database

Information card for entry 4035701

Preview

Coordinates	4035701.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	131129mis1
Formula	C31 H26 N4 O7
Calculated formula	C31 H26 N4 O7
SMILES	c1(ccc(cc1)C(=O)N(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(C)c1ccc(cc1)C(=O)OC)N(=O)=O
Title of publication	Synthesis and Conformational Analysis of Alternately N-Alkylated Aromatic Amide Oligomers.
Authors of publication	Urushibara, Ko; Masu, Hyuma; Mori, Hirotoshi; Azumaya, Isao; Hirano, Tomoya; Kagechika, Hiroyuki; Tanatani, Aya
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	23
Pages of publication	14338 - 14349
a	39.031 ± 0.006 Å
b	5.648 ± 0.0009 Å
c	23.048 ± 0.004 Å
α	90°
β	91.195 ± 0.003°
γ	90°
Cell volume	5079.8 ± 1.4 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1604
Residual factor for significantly intense reflections	0.1419
Weighted residual factors for significantly intense reflections	0.3482
Weighted residual factors for all reflections included in the refinement	0.3646
Goodness-of-fit parameter for all reflections included in the refinement	1.49
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
227150 (current)	2019-11-11	cif/ Adding structures of 4035701 via cif-deposit CGI script.	4035701.cif