Crystallography Open Database

Information card for entry 2200063

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Structure parameters

Common name	boc-Tyr-Tic
Chemical name	boc-tyrosyl-tetrahydroisoquinoline-3-carboxylic acid nitromethane solvate
Formula	C24.825 H30.475 N2.825 O7.65
Calculated formula	C24.825 H30.475 N2.825 O7.65
Title of publication	2-[<i>N</i>-(<i>tert</i>-Butoxycarbonyl)tyrosyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid nitromethane solvate
Authors of publication	Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; George, Clifford
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	1
Pages of publication	o87 - o90
a	11.464 ± 0.003 Å
b	14.827 ± 0.002 Å
c	16.444 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2795.1 ± 0.9 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for all reflections	0.2028
Weighted residual factors for all reflections included in the refinement	0.1954
Goodness-of-fit parameter for all reflections	1.082
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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