Crystallography Open Database

Information card for entry 1572618

Preview

Coordinates	1572618.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MUFFO
Chemical name	MUFFO
Formula	C26 H27 N3 O4
Calculated formula	C26 H27 N3 O4
SMILES	O(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)Nc1ccccc1)Cc1ccccc1)Cc1ccccc1)C
Title of publication	Designer pseudopeptides: autofluorescent polygonal tubes <i>via</i> Phe-zipper and triple helix.
Authors of publication	Haridas, V.; Maurya, Govind P.; Dutta, Souvik
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	41
Pages of publication	16908 - 16916
a	12.7958 ± 0.0003 Å
b	12.7958 ± 0.0003 Å
c	26.2968 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	3728.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
296362 (current)	2024-12-06	cif/ Updating files of 1572616, 1572617, 1572618 Original log message: Adding full bibliography for 1572616--1572618.cif.	1572618.cif
294822	2024-09-21	cif/ Adding structures of 1572616, 1572617, 1572618 via cif-deposit CGI script.	1572618.cif