Crystallography Open Database

Information card for entry 1506226

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Structure parameters

Formula	C24 H32 O4
Calculated formula	C24 H32 O4
SMILES	O=C(O[C@H]1[C@@H](CC[C@H](C1)C)C(C)(C)c1ccccc1)[C@@H](O)c1oc(c(c1)C)C
Title of publication	Highly diastereoselective Friedel-Crafts reaction of furans with 8-phenylmenthyl glyoxylate.
Authors of publication	Kwiatkowski, Piotr; Majer, Jakub; Chaładaj, Wojciech; Jurczak, Janusz
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	22
Pages of publication	5045 - 5048
a	6.0231 ± 0.0012 Å
b	18.81 ± 0.004 Å
c	19.088 ± 0.004 Å
α	90°
β	91.44 ± 0.03°
γ	90°
Cell volume	2161.9 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0968
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for significantly intense reflections	0.2129
Weighted residual factors for all reflections included in the refinement	0.2279
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1506226.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.	1506226.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506226.cif
48106	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506226 via cif-deposit CGI script.	1506226.cif