Crystallography Open Database

Information card for entry 1518037

Preview

Coordinates	1518037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H31 O5 P
Calculated formula	C31 H31 O5 P
SMILES	P(=O)(c1ccccc1)(c1ccccc1)C1=C2C(CC(C1)(C(=O)OC)C(=O)OC)C(c1c2cccc1)(C)C
Title of publication	Silver-promoted oxidative cyclization of 1,6-enynes: highly regioselective synthesis of phosphorated fluorene derivatives.
Authors of publication	Zhou, Zhao-Zhao; Jin, Dong-Po; Li, Lian-Hua; He, Yu-Tao; Zhou, Ping-Xin; Yan, Xiao-Biao; Liu, Xue-Yuan; Liang, Yong-Min
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	21
Pages of publication	5616 - 5619
a	11.5189 ± 0.0013 Å
b	20.166 ± 0.002 Å
c	12.1082 ± 0.001 Å
α	90°
β	99.379 ± 0.01°
γ	90°
Cell volume	2775 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1487
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.2127
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
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.	1518037.cif
127271	2014-11-12	cif/ Updating files of 1518037 Original log message: Adding full bibliography for 1518037.cif.	1518037.cif
125476	2014-10-16	cif/ Adding structures of 1518037 via cif-deposit CGI script.	1518037.cif