Crystallography Open Database

Information card for entry 4113664

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Structure parameters

Formula	C32 H37 N4 O6 P3
Calculated formula	C32 H37 N4 O6 P3
SMILES	C1COCCOCCOCCOP2(=NP(=NP(c3ccccc3)(c3ccccc3)=N2)(Nc2ccccc2)O1)Oc1ccccc1
Title of publication	Anomalous NMR Behavior of Meso Compounds with Remote Stereogenic Centers on Addition of Chiral Shift Reagent or Chiral Solvating Agent
Authors of publication	Serap Beşli; Simon J. Coles; David B. Davies; Robert J. Eaton; Michael B. Hursthouse; Adem Kiliç; Robert A. Shaw; Gönül Yenilmez Çiftçi; Serkan Yeşilot
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	4943 - 4950
a	25.528 ± 0.005 Å
b	14.911 ± 0.003 Å
c	17.257 ± 0.004 Å
α	90°
β	96.39 ± 0.03°
γ	90°
Cell volume	6528 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0971
Residual factor for significantly intense reflections	0.076
Weighted residual factors for significantly intense reflections	0.1937
Weighted residual factors for all reflections included in the refinement	0.2136
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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