Crystallography Open Database

Information card for entry 1548895

Preview

Coordinates	1548895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H46 N4 O8 S
Calculated formula	C24 H46 N4 O8 S
SMILES	S(=O)(=O)(N[C@H](C(=O)N[C@H](C(=O)OC)[C@@H](C)CC)C(C)C)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)OC)[C@@H](C)CC
Title of publication	From helical supramolecular arrays to gel-forming networks: lattice restructuring and aggregation control in peptide-based sulfamides to integrate new functional attributes.
Authors of publication	Raghava, Saripalli V.; Srivastava, Bhartendu K.; Ramshad, Kalluruttimmal; Antharjanam, Sudhadevi; Varghese, Babu; Muraleedharan, Kannoth M.
Journal of publication	Soft matter
Year of publication	2018
Journal volume	14
Journal issue	12
Pages of publication	2357 - 2364
a	9.5629 ± 0.0006 Å
b	15.744 ± 0.0009 Å
c	21.1445 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3183.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.095
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
230977 (current)	2019-11-17	cif/ Updating files of 1548893, 1548894, 1548895, 1548896 Original log message: Adding full bibliography for 1548893--1548896.cif.	1548895.cif
206329	2018-02-09	cif/ Adding structures of 1548893, 1548894, 1548895, 1548896 via cif-deposit CGI script.	1548895.cif