Crystallography Open Database

Information card for entry 4020137

4020136 << 4020137 >> 4020138

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Coordinates	4020137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101 H132 N4 O44
Calculated formula	C101 H132 N4 O44
Authors of publication	Huifang Wu; Denzil Bernard; Weibin Chen; Gary D. Strahan; Jeffrey R. Deschamps; Damon A. Parrish; John W. Lewis; Alexander D. MacKerell, Jr.; Andrew Coop
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	1907 - 1910
a	19.0391 ± 0.0012 Å
b	11.1986 ± 0.0007 Å
c	23.9408 ± 0.0015 Å
α	90°
β	95.338 ± 0.003°
γ	90°
Cell volume	5082.3 ± 0.6 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 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	0.1029
Residual factor for significantly intense reflections	0.0847
Weighted residual factors for significantly intense reflections	0.2246
Weighted residual factors for all reflections included in the refinement	0.2396
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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