Crystallography Open Database

Information card for entry 7156098

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Coordinates	7156098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H199 N16 O28
Calculated formula	C112 H199 N16 O28
Title of publication	Understanding the conformational analysis of gababutin based hybrid peptides.
Authors of publication	Konda, Maruthi; Jadhav, Rohit G.; Maiti, Sayan; Mobin, Shaikh M.; Kauffmann, Brice; Das, Apurba K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	10
Pages of publication	1728 - 1735
a	20.8114 ± 0.0001 Å
b	12.8324 ± 0.0001 Å
c	23.6124 ± 0.0002 Å
α	90°
β	100.846 ± 0.001°
γ	90°
Cell volume	6193.29 ± 0.08 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	0.0803
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.2351
Weighted residual factors for all reflections included in the refinement	0.2355
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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