Crystallography Open Database

Information card for entry 7232430

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Coordinates	7232430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H31 N5 O2
Calculated formula	C22 H31 N5 O2
Title of publication	The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives
Authors of publication	Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	14
Pages of publication	2398
a	5.01883 ± 0.00014 Å
b	16.5007 ± 0.0005 Å
c	25.5451 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2115.5 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 2 21 21
Hall space group symbol	P 2bc 2
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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