Crystallography Open Database

Information card for entry 4116887

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Structure parameters

Common name	Z-[HmS(Ipr)]3-OMe
Formula	C30 H43 N3 O12
Calculated formula	C30 H43 N3 O12
SMILES	N(C(=O)OCc1ccccc1)C1(COC(OC1)(C)C)C(=O)NC1(COC(OC1)(C)C)C(=O)NC1(COC(OC1)(C)C)C(=O)OC
Title of publication	Destabilization of the 310-Helix in Peptides Based on Cα-Tetrasubstituted α-Amino Acids by Main-Chain to Side-Chain Hydrogen Bonds
Authors of publication	Wojciech M. Wolf; Marcin Stasiak; Miroslav T. Leplawy; Alberto Bianco; Fernando Formaggio; Marco Crisma; Claudio Toniolo
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	11558 - 11566
a	11.243 ± 0.002 Å
b	11.451 ± 0.002 Å
c	13.122 ± 0.003 Å
α	84.47 ± 0.03°
β	80.2 ± 0.03°
γ	77.9 ± 0.03°
Cell volume	1624.5 ± 0.6 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1716
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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