Crystallography Open Database

Information card for entry 1516524

Preview

Coordinates	1516524.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(R)-3'-phenyl-10,11-dihydro-3'H-spiro[dibenzo[a,d][7]annulene-5,2'-furan]-5'(4'H)-one
Formula	C24 H20 O2
Calculated formula	C24 H20 O2
SMILES	O1C(=O)C[C@H](C21c1ccccc1CCc1ccccc21)c1ccccc1
Title of publication	Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones.
Authors of publication	Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	12
Pages of publication	3348 - 3351
a	8.9315 ± 0.0015 Å
b	9.1942 ± 0.0012 Å
c	21.867 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1795.7 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.062
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0722
Goodness-of-fit parameter for all reflections included in the refinement	0.927
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	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.	1516524.cif
119294	2014-07-05	cif/ Updating files of 1516523, 1516524, 1516525, 1516526 Original log message: Adding full bibliography for 1516523--1516526.cif.	1516524.cif
116007	2014-06-06	cif/ Adding structures of 1516524 via cif-deposit CGI script.	1516524.cif