Crystallography Open Database

Information card for entry 7231043

Preview

Coordinates	7231043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H30 N2 O5
Calculated formula	C16 H30 N2 O5
Title of publication	Boc-Val-Val-OMe (Aβ39‒40) and Boc-Ile-Ala-OMe (Aβ41‒42) crystallize in a parallel β-sheet arrangement but generate a different morphology
Authors of publication	Giri, Rajat Subhra; Mandal, Bhubaneswar
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	31
Pages of publication	4441
a	11.7141 ± 0.0003 Å
b	18.6463 ± 0.0005 Å
c	27.0913 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5917.4 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0857
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1475
Weighted residual factors for all reflections included in the refinement	0.1639
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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