Crystallography Open Database

Information card for entry 1572617

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Coordinates	1572617.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dMUAFO
Chemical name	dMUAFO
Formula	C21 H25 N3 O4
Calculated formula	C21 H25 N3 O4
Title of publication	Designer Pseudopeptides: Autofluorescent Polygonal Tubes via Phe-zipper and Triple Helix
Authors of publication	Haridas, V.; Maurya, Govind P.; Dutta, Souvik
Journal of publication	Chemical Science
Year of publication	2024
a	5.3547 ± 0.0002 Å
b	11.2231 ± 0.0004 Å
c	33.8405 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2033.69 ± 0.12 Å³
Cell temperature	302 ± 2 K
Ambient diffraction temperature	302 K
Number of distinct elements	4
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	0.1112
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1207
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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