Crystallography Open Database

Information card for entry 2006132

2006131 << 2006132 >> 2006133

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Coordinates	2006132.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	cis-4-Amino-5-chloro-N-{1-[3-(4-fluorophenoxy)propyl]- 3-methoxy-4-piperidylium}-2-methoxybenzamide tartrate
Formula	C27 H35 Cl F N3 O10
Calculated formula	C27 H35 Cl F N3 O10
Title of publication	Absolute Configuration of the Double Salt of <i>cis</i>-4-Amino-5-chloro-<i>N</i>-{1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-1-ium-4-yl}-2-methoxybenzamide Tartrate (Cisapride Tartrate)
Authors of publication	Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	5
Pages of publication	597 - 599
a	8.7641 ± 0.0004 Å
b	26.785 ± 0.002 Å
c	12.5316 ± 0.0007 Å
α	90°
β	104.412 ± 0.004°
γ	90°
Cell volume	2849.2 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for all reflections	0.1092
Weighted residual factors for significantly intense reflections	0.1092
Goodness-of-fit parameter for all reflections	1.032
Goodness-of-fit parameter for significantly intense reflections	1.032
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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