Crystallography Open Database

Information card for entry 1504934

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Structure parameters

Formula	C19 H18 O5
Calculated formula	C19 H18 O5
SMILES	O1c2cc3[C@H]([C@@H](C(=O)Oc3cc2OC1)CC)c1ccc(OC)cc1
Title of publication	Asymmetric cycloadditions of o-quinone methides employing chiral ammonium fluoride precatalysts.
Authors of publication	Alden-Danforth, Ethan; Scerba, Michael T.; Lectka, Thomas
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	21
Pages of publication	4951 - 4953
a	7.0712 ± 0.0002 Å
b	13.0588 ± 0.0003 Å
c	17.1676 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1585.28 ± 0.06 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
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	0.034
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1504934.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504934.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504934.cif
42477	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504934 via cif-deposit CGI script.	1504934.cif