Crystallography Open Database

Information card for entry 7156022

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Structure parameters

Formula	C33 H55 Cl6 N5 O8
Calculated formula	C33 H55 Cl6 N5 O8
Title of publication	Side chain-specific 11/9-helix propensity of α/β-peptides with alternating residue types.
Authors of publication	Lee, Jaeyeon; Shim, Jihyun; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	3
Pages of publication	433 - 438
a	10.1637 ± 0.0004 Å
b	17.2472 ± 0.0005 Å
c	25.5023 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4470.4 ± 0.3 Å³
Cell temperature	219.9 K
Ambient diffraction temperature	219.9 K
Number of distinct elements	5
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	0.1037
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.2108
Weighted residual factors for all reflections included in the refinement	0.2342
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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