Crystallography Open Database

Information card for entry 2004835

2004834 << 2004835 >> 2004836

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Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Formula	C18 H17 N O5 S
Calculated formula	C18 H17 N O5 S
Title of publication	<i>cis</i>-(±)-3-Acetoxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-Oxide
Authors of publication	Kumaradhas, P.; Nirmala, K. A.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	5
Pages of publication	1259 - 1261
a	8.2 ± 0.008 Å
b	13.326 ± 0.009 Å
c	32.093 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3507 ± 4 Å³
Cell temperature	294 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	P b c a
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1374
Goodness-of-fit parameter for significantly intense reflections	1.205
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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