Crystallography Open Database

Information card for entry 4517362

Preview

Coordinates	4517362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 N3 O5
Calculated formula	C27 H29 N3 O5
SMILES	O=C(NC(C(=O)N[C@H](C(=O)OC)Cc1ccc(O)cc1)(C)C)c1c(Nc2ccccc2)cccc1
Title of publication	Conformational Heterogeneity and Self-Assembly of α,β,γ-Hybrid Peptides Containing Fenamic Acid: Multistimuli-Responsive Phase-Selective Gelation
Authors of publication	Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Podder, Debasish; Haldar, Debasish
Journal of publication	ACS Omega
Year of publication	2020
a	6.9049 ± 0.0006 Å
b	17.9673 ± 0.0013 Å
c	10.1305 ± 0.0007 Å
α	90°
β	106.637 ± 0.009°
γ	90°
Cell volume	1204.2 ± 0.17 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 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	0.0455
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation probe	x-ray
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
247379 (current)	2020-01-31	cif/ Adding structures of 4517362 via cif-deposit CGI script.	4517362.cif