Crystallography Open Database

Information card for entry 7100163

Preview

Coordinates	7100163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.25 H22 Cl F2 N2 O6
Calculated formula	C22.25 H22 Cl F2 N2 O6
Title of publication	The C-F bond as a tool for influencing peptide conformation
Authors of publication	D. O'Hagan; Martin Schuler; A. Slawin
Journal of publication	Chemical Communications
Year of publication	2005
a	4.9826 ± 0.0019 Å
b	22.066 ± 0.01 Å
c	24.319 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	2673.7 ± 1.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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