Crystallography Open Database

Information card for entry 2003272

2003271 << 2003272 >> 2003273

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Coordinates	2003272.cif
Original IUCr paper	HTML

Structure parameters

Formula	C17 H22 O5
Calculated formula	C17 H22 O5
SMILES	[C@@H]12[C@@H]3C[C@@]4(CC[C@H]5CC[C@H](C[C@]1(OC3=O)O)[C@@]245)C(=O)OCC.[C@H]12[C@H]3C[C@]4(CC[C@@H]5CC[C@@H](C[C@@]1(OC3=O)O)[C@]245)C(=O)OCC
Title of publication	A [5.5.5.5]Fenestrane Derivative
Authors of publication	Guidetti-Grept, R.; Herzog, B.; Debrunner, B.; Siljegovic, V.; Keese, R.; Frey, H.-M.; Hauser, A.; König, O.; Lüthi, S.; Birrer, J.; Nyffeler, D.; Förtsch, M.; Bürgi, H.-B.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	3
Pages of publication	495 - 497
a	13.274 ± 0.004 Å
b	7.746 ± 0.002 Å
c	15.08 ± 0.005 Å
α	90°
β	108.33 ± 0.03°
γ	90°
Cell volume	1471.9 ± 0.8 Å³
Cell temperature	293 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.055
Goodness-of-fit parameter for significantly intense reflections	1.534
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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