Crystallography Open Database

Information card for entry 1508858

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Structure parameters

Formula	C28 H25 N O4
Calculated formula	C28 H25 N O4
SMILES	N([C@@H]1C[C@]2(OCc3c2cccc3)Oc2c1c1c(cc2)cccc1)c1cc(OC)cc(OC)c1
Title of publication	Direct Access to Enantioenriched Spiroacetals through Asymmetric Relay Catalytic Three-Component Reaction.
Authors of publication	Wu, Hua; He, Yu-Ping; Gong, Liu-Zhu
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	3
Pages of publication	460 - 463
a	12.652 ± 0.002 Å
b	5.3373 ± 0.0009 Å
c	17.942 ± 0.003 Å
α	90°
β	109.082 ± 0.003°
γ	90°
Cell volume	1145 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	1508858.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.	1508858.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508858.cif
74008	2013-02-21	cif/ Adding structures of 1508858 via cif-deposit CGI script.	1508858.cif