Crystallography Open Database

Information card for entry 4116966

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Coordinates	4116966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H27 B F4 Rh
Calculated formula	C16.8 H16 B F4 N0.9 Rh
Title of publication	Dipeptide Surrogates Containing Asparagine-Derived Tetrahydropyrimidinones: Preparation, Structure, and Use in Solid Phase Synthesis
Authors of publication	Joseph P. Konopelski; Lubov K. Filonova; Marilyn M. Olmstead
Journal of publication	Journal of the American Chemical Society
Year of publication	1997
Journal volume	119
Pages of publication	4305 - 4306
a	21.183 ± 0.002 Å
b	21.18 ± 0.003 Å
c	8.324 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3734.6 ± 1.1 Å³
Cell temperature	25 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0526
Goodness-of-fit parameter for significantly intense reflections	1.0947
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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