Crystallography Open Database

Information card for entry 7211544

Preview

Coordinates	7211544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H38 N10 O8
Calculated formula	C22 H38 N10 O8
SMILES	c1([n+](c(cc(n1)N1CCCCC1)N)O)N.C(=O)(/C=C/C(=O)[O-])[O-].O.c1([n+](c(cc(n1)N1CCCCC1)N)O)N.O
Title of publication	Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted
Authors of publication	Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	3
Pages of publication	742
a	21.284 ± 0.0008 Å
b	10.4088 ± 0.0004 Å
c	13.8485 ± 0.0005 Å
α	90°
β	117.311 ± 0.002°
γ	90°
Cell volume	2726.02 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0572
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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