Crystallography Open Database

Information card for entry 7153835

Preview

Coordinates	7153835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 O4
Calculated formula	C28 H20 O4
SMILES	C(=O)(c1ccccc1)c1c(O)c2c(cc1)O[C@]1(C[C@@H]2c2c(O1)cccc2)c1ccccc1.C(=O)(c1ccccc1)c1c(O)c2c(cc1)O[C@@]1(C[C@H]2c2c(O1)cccc2)c1ccccc1
Title of publication	Catalyst-controlled regio- and stereoselective synthesis of diverse 12H-6,12-methanodibenzo[d,g][1,3]dioxocines.
Authors of publication	Xia, Likai; Cai, Hongyun; Lee, Yong Rok
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	25
Pages of publication	4386 - 4396
a	23.832 ± 0.002 Å
b	11.4009 ± 0.001 Å
c	7.7827 ± 0.0007 Å
α	90°
β	95.137 ± 0.002°
γ	90°
Cell volume	2106.1 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1256
Weighted residual factors for all reflections included in the refinement	0.1677
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
180324 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/38.	7153835.cif
116287	2014-06-07	cif/ Updating files of 7153835, 7153836 Original log message: Adding full bibliography for 7153835--7153836.cif.	7153835.cif
114009	2014-05-20	cif/ Adding structures of 7153835, 7153836 via cif-deposit CGI script.	7153835.cif