Crystallography Open Database

Information card for entry 2200960

2200959 << 2200960 >> 2200961

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Structure parameters

Chemical name	boc-Metkephamid-OMe
Formula	C35 H51 N5 O10.125 S
Calculated formula	C35 H51 N5 O10.125 S
Title of publication	Boc-tyrosyl-<small>D</small>-alanyl-glycyl-<i>N</i>-methyl-phenylalanyl-<i>O</i>-methyl-methionine hydrate: a protected analog of metkephamid
Authors of publication	Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; Brine, George A.; Hayes, James P.; George, Clifford
Journal of publication	Acta Crystallographica Section E
Year of publication	2002
Journal volume	58
Journal issue	1
Pages of publication	o13 - o15
a	38.354 ± 0.001 Å
b	11 ± 0.001 Å
c	22.689 ± 0.001 Å
α	90°
β	123.15 ± 0.01°
γ	90°
Cell volume	8014.4 ± 1.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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