Crystallography Open Database

Information card for entry 4074341

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Coordinates	4074341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H30 N2 O7 Si
Calculated formula	C29 H30 N2 O7 Si
Title of publication	Synthesis and Pharmacological Characterization of Sila-panamesine, a Sila-Analogue of the σ Receptor Ligand Panamesine (EMD 57445)
Authors of publication	Ilg, Rainer; Burschka, Christian; Schepmann, Dirk; Wünsch, Bernhard; Tacke, Reinhold
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	22
Pages of publication	5396
a	43.378 ± 0.009 Å
b	6.6111 ± 0.0013 Å
c	9.4509 ± 0.0019 Å
α	90°
β	99.34 ± 0.03°
γ	90°
Cell volume	2674.4 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.0598
Goodness-of-fit parameter for all reflections included in the refinement	0.908
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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