Crystallography Open Database

Information card for entry 7101595

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Coordinates	7101595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H27 N5 O4
Calculated formula	C18 H27 N5 O4
Title of publication	Parallel sheet structure in cyclopropane γ-peptides stabilized by C‒H...O hydrogen bonds
Authors of publication	M. Khurram N. Qureshi; Martin D. Smith
Journal of publication	Chemical Communications
Year of publication	2006
Journal issue	48
a	4.8023 ± 0.0001 Å
b	8.6693 ± 0.0002 Å
c	24.105 ± 0.0005 Å
α	90°
β	93.793 ± 0.002°
γ	90°
Cell volume	1001.36 ± 0.04 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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