Crystallography Open Database

Information card for entry 7155248

Preview

Coordinates	7155248.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 Cl3 N5 O8
Calculated formula	C30 H50 Cl3 N5 O8
Title of publication	Helical α/β-depsipeptides with alternating residue types: conformational change from the 11-helix to the 14/15-helix.
Authors of publication	Lee, Jaeyeon; Jang, Geunhyeok; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	36
Pages of publication	8438 - 8442
a	9.2919 ± 0.0004 Å
b	11.041 ± 0.0005 Å
c	19.247 ± 0.001 Å
α	90°
β	100.12 ± 0.0016°
γ	90°
Cell volume	1943.86 ± 0.16 Å³
Cell temperature	304 K
Ambient diffraction temperature	304 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1096
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.169
Weighted residual factors for all reflections included in the refinement	0.1975
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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