Crystallography Open Database

Information card for entry 2204230

2204229 << 2204230 >> 2204231

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2204230.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	tris(3-nitrophenyl)phosphine oxide
Formula	C18 H12 N3 O7 P
Calculated formula	C18 H12 N3 O7 P
SMILES	P(=O)(c1cc(N(=O)=O)ccc1)(c1cc(N(=O)=O)ccc1)c1cc(N(=O)=O)ccc1
Title of publication	Tris(3-nitrophenyl)phosphine oxide
Authors of publication	Jean-Noël, Gregory; Fronczek, Frank R.; Isovitsch, Ralph
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	9
Pages of publication	o1646 - o1647
a	19.1402 ± 0.0009 Å
b	5.4608 ± 0.0002 Å
c	16.8888 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1765.23 ± 0.13 Å³
Cell temperature	105 K
Ambient diffraction temperature	105 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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