Crystallography Open Database

Information card for entry 4029153

Preview

Coordinates	4029153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 O4
Calculated formula	C32 H24 O4
SMILES	C1(=O)c2ccccc2[C@@H]2[C@]1(c1ccccc1[C@H](CC(=O)c1ccccc1)[C@H]2C(=O)c1ccccc1)O.C1(=O)c2ccccc2[C@H]2[C@@]1(c1ccccc1[C@@H](CC(=O)c1ccccc1)[C@@H]2C(=O)c1ccccc1)O
Title of publication	Changing the Reaction Pathway by NHC/Brønsted Base Cooperative Catalysis: Highly Stereoselective Synthesis of Multifunctional Benzo[a]fluoren-11-ones from the Dimerization of 2-(Aroylvinyl)arylaldehydes.
Authors of publication	Tong, Yuan-Feng; Mao, Jian-Hui; Wu, Song; Zhao, Yuan; Cheng, Ying
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	5
Pages of publication	2075 - 2081
a	33.16 ± 0.004 Å
b	9.213 ± 0.0013 Å
c	15.474 ± 0.002 Å
α	90°
β	97.427 ± 0.002°
γ	90°
Cell volume	4687.7 ± 1.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0648
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
178470 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/91.	4029153.cif
106730	2014-03-15	cif/ Adding structures of 4029153 via cif-deposit CGI script.	4029153.cif