Crystallography Open Database

Information card for entry 2003498

2003497 << 2003498 >> 2003499

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Coordinates	2003498.cif
Original IUCr paper	HTML

Structure parameters

Common name	Sel de maprotiline
Chemical name	N-méthyl-N-[Dibenzo(b,e)]-bicyclo-[2,2,2]-octadi ène]-propylcarbamate de N-méthyl-N-[Dibenzo(b,e)]-bicyclo-[2,2,2]-octadi ène]-propylammonium
Formula	C41 H47 N2 O2.5
Calculated formula	C41 H47 N2 O2.5
Title of publication	Un sel de Maprotiline (Ludiomil), Médicament Psychotrope, C~20~H~24~N^+^.C~21~H~22~NO~2~^{-^}.0,5H~2~O
Authors of publication	Brouant, P.; Reboul, J.-P.; Siri, D.; Soyfer, J.-C.; Barbe, J.; Pèpe, G.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	5
Pages of publication	970 - 974
a	8.955 ± 0.005 Å
b	11.085 ± 0.003 Å
c	17.45 ± 0.005 Å
α	83.9 ± 0.02°
β	78.8 ± 0.01°
γ	85.3 ± 0.02°
Cell volume	1686.2 ± 1.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.041
Weighted residual factors for all reflections	0.042
Weighted residual factors for significantly intense reflections	0.042
Goodness-of-fit parameter for all reflections	1.01
Goodness-of-fit parameter for significantly intense reflections	1.01
Diffraction radiation wavelength	0.7019 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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