Crystallography Open Database

Information card for entry 2105470

Preview

Coordinates	2105470.cif
Original IUCr paper	HTML

Structure parameters

Formula	C15 H24 F2 N3 O2 P
Calculated formula	C15 H24 F2 N3 O2 P
SMILES	c1(cccc(c1C(=O)NP(=O)(N(CC)CC)N(CC)CC)F)F
Title of publication	Hirshfeld surface analysis of new phosphoramidates
Authors of publication	Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa
Journal of publication	Acta Crystallographica Section B
Year of publication	2013
Journal volume	69
Journal issue	3
Pages of publication	260 - 270
a	9.8932 ± 0.0017 Å
b	10.5022 ± 0.0019 Å
c	19.228 ± 0.004 Å
α	79.853 ± 0.003°
β	81.589 ± 0.002°
γ	62.86 ± 0.002°
Cell volume	1745.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176768 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2105470.cif
86737	2013-07-11	cif/ Adding structures of 2105470, 2105471, 2105472, 2105473, 2105474, 2105475 via cif-deposit CGI script.	2105470.cif