Crystallography Open Database

Information card for entry 7108933

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Coordinates	7108933.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	foldamers
Formula	C17 H27 N3 O5 S
Calculated formula	C17 H20 N3 O5 S
Title of publication	Orthanilic acid-promoted reverse turn formation in peptides
Authors of publication	Sangram S. Kale; Gowri Priya; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; P. R. Rajamohanan; Gangadhar J. Sanjayan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	22
Pages of publication	2222 - 2224
a	29.295 ± 0.0003 Å
b	46.538 ± 0.0005 Å
c	5.7943 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	7899.55 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0856
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1906
Weighted residual factors for all reflections included in the refinement	0.1972
Goodness-of-fit parameter for all reflections included in the refinement	1.157
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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