Crystallography Open Database

Information card for entry 1545311

Preview

Coordinates	1545311.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PDJXC1-44
Formula	C15 H12 O3
Calculated formula	C15 H12 O3
SMILES	O(c1ccc2c3ccc(OC)cc3C(=O)c2c1)C
Title of publication	Synthesis of Fluorenones from Benzaldehydes and Aryl Iodides: Dual C-H Functionalizations Using a Transient Directing Group.
Authors of publication	Chen, Xiao-Yang; Ozturk, Seyma; Sorensen, Erik J.
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	5
Pages of publication	1140 - 1143
a	7.8452 ± 0.0003 Å
b	3.9073 ± 0.0002 Å
c	36.549 ± 0.0015 Å
α	90°
β	93.5525 ± 0.0013°
γ	90°
Cell volume	1118.2 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
193633 (current)	2017-03-04	cif/ Updating files of 1545311 Original log message: Adding full bibliography for 1545311.cif.	1545311.cif
192468	2017-02-23	cif/ Adding structures of 1545311 via cif-deposit CGI script.	1545311.cif