Crystallography Open Database

Information card for entry 5000304

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 Cr O5 Si
Calculated formula	C17 H22 Cr O5 Si
SMILES	[Cr]12345([c]67[c]5([C@H](O[Si](C)(C)C)C([C@@H]6O)(C)C)[cH]4[cH]3[cH]2[cH]17)(C#[O])(C#[O])C#[O].[Cr]12345([c]67[c]5([C@@H](O[Si](C)(C)C)C([C@H]6O)(C)C)[cH]4[cH]3[cH]2[cH]17)(C#[O])(C#[O])C#[O]
Title of publication	Stereocontrolled [3 + 2] Annulations with Arene Chromium Tricarbonyl Complexes: Construction of Spirocyclic Compounds Related to Fredericamycin A
Authors of publication	Moser, William H.; Zhang, Jian; Lecher, Carl S.; Frazier, Tracy L.; Pink, Maren
Journal of publication	Organic Letters
Year of publication	2002
Journal volume	4
Journal issue	12
Pages of publication	1981 - 1984
a	6.4814 ± 0.0002 Å
b	10.6477 ± 0.0004 Å
c	13.9211 ± 0.0005 Å
α	98.761 ± 0.001°
β	91.012 ± 0.001°
γ	104.237 ± 0.001°
Cell volume	918.83 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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