Crystallography Open Database

Information card for entry 7242489

Preview

Coordinates	7242489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 O
Calculated formula	C20 H22 O
SMILES	C1(=O)[C@H]([C@H](c2c(c(c(c(c12)C)C)C)C)c1ccccc1)C.C1(=O)[C@@H]([C@@H](c2c(c(c(c(c12)C)C)C)C)c1ccccc1)C
Title of publication	Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene
Authors of publication	Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	19
Pages of publication	11529 - 11535
a	10.6474 ± 0.0013 Å
b	5.8091 ± 0.0007 Å
c	24.587 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1520.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n 21 a
Hall space group symbol	P -2ac -2n
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1466
Weighted residual factors for all reflections included in the refinement	0.1661
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263202 (current)	2021-03-20	cif/ Adding structures of 7242483, 7242484, 7242485, 7242486, 7242487, 7242488, 7242489, 7242490 via cif-deposit CGI script.	7242489.cif