Crystallography Open Database

Information card for entry 2202193

2202192 << 2202193 >> 2202194

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Structure parameters

Chemical name	Spiro[1,3-dioxolane-2,4'-[8]phenylsulfonylbicyclo[4.2.0]octan[1]ol]
Formula	C16 H20 O5 S
Calculated formula	C16 H20 O5 S
SMILES	S(=O)(=O)([C@@H]1[C@]2(O)[C@H](C1)CC1(OCCO1)CC2)c1ccccc1.S(=O)(=O)([C@H]1[C@@]2(O)[C@@H](C1)CC1(OCCO1)CC2)c1ccccc1
Title of publication	Spiro[1,3-dioxolane-2,4'-[8]phenylsulfonylbicyclo[4.2.0]octan-1-ol]
Authors of publication	Wendy A. Loughlin; Michelle A. McCleary; Peter C. Healy
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	6
Pages of publication	o789 - o791
a	5.736 ± 0.003 Å
b	11.468 ± 0.005 Å
c	12.095 ± 0.004 Å
α	81.1 ± 0.6°
β	98.83 ± 0.03°
γ	98.03 ± 0.03°
Cell volume	771.2 ± 1.3 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 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	0.069
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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