Crystallography Open Database

Information card for entry 2006082

2006081 << 2006082 >> 2006083

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Coordinates	2006082.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(thian-5-one-1,1-dioxide)-3-spiro-3'-(5'-O-tert-butyldimethylsilyl-3'- deoxy-1',2'-O-isopropylidene-alpha-D-xylo-pentofuranose)
Formula	C18 H32 O7 S Si
Calculated formula	C18 H32 O7 S Si
Title of publication	Absolute Structure of (Thian-5-one 1,1-dioxide)-3-spiro-3'-(5'-<i>O</i>-<i>tert</i>-butyldimethylsilyl-3'-deoxy-1',2'-<i>O</i>-isopropylidene-α-<small>D</small>-<i>xylo</i>-pentofuranose), a Novel Type of Spirosugar
Authors of publication	Bernardinelli, G.; Tronchet, J. M. J.; Kovacs, I.
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	4
Pages of publication	511 - 513
a	6.6446 ± 0.0005 Å
b	9.4721 ± 0.0008 Å
c	35.046 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2205.7 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.059
Weighted residual factors for all reflections	0.048
Weighted residual factors for significantly intense reflections	0.041
Goodness-of-fit parameter for all reflections	3.432
Goodness-of-fit parameter for significantly intense reflections	3.101
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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