Crystallography Open Database

Information card for entry 4108912

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Coordinates	4108912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H35 N4 O7.5
Calculated formula	C29 H35 N4 O7.5
Title of publication	Sequence-Specific Unusual (1\ρightarrow2)-Type Helical Turns in α/β-Hybrid Peptides
Authors of publication	Panchami Prabhakaran; Sangram S. Kale; Vedavati G. Puranik; P. R. Rajamohanan; Olga Chetina; Judith A. K. Howard; Hans-Jörg Hofmann; Gangadhar J. Sanjayan
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	17743 - 17754
a	9.6923 ± 0.0005 Å
b	9.4608 ± 0.0004 Å
c	15.6706 ± 0.0007 Å
α	90°
β	93.158 ± 0.002°
γ	90°
Cell volume	1434.76 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0738
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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