Crystallography Open Database

Information card for entry 1549226

Preview

Coordinates	1549226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H74 N4 O4 P2
Calculated formula	C48 H74 N4 O4 P2
SMILES	P123(OC(=CN3C=C(O1)C(C)(C)C)C(C)(C)C)N(P13(OC(=CN3C=C(O1)C(C)(C)C)C(C)(C)C)N2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.
Authors of publication	Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	18
Pages of publication	4338 - 4347
a	27.535 ± 0.006 Å
b	11.39 ± 0.002 Å
c	20.157 ± 0.004 Å
α	90°
β	129.45 ± 0.03°
γ	90°
Cell volume	4881 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0838
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1978
Weighted residual factors for all reflections included in the refinement	0.2046
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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