Crystallography Open Database

Information card for entry 7056723

Preview

Coordinates	7056723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H56 O6.45
Calculated formula	C53 H56 O6.451
Title of publication	meta-Bridged Calix[4]arenes Prepared by Friedel–Crafts Alkylation
Authors of publication	Slavik, Petr; Dvorakova, Hana; Eigner, Vaclav; Lhotak, Pavel
Journal of publication	New Journal of Chemistry
Year of publication	2017
Journal volume	41
Journal issue	23
Pages of publication	14738 - 14745
a	10.0427 ± 0.0003 Å
b	11.1946 ± 0.0003 Å
c	21.0233 ± 0.0004 Å
α	96.2914 ± 0.0018°
β	92.4769 ± 0.0018°
γ	109.769 ± 0.002°
Cell volume	2202.67 ± 0.1 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Ambient diffracton pressure	101 kPa
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for all reflections	0.1678
Weighted residual factors for significantly intense reflections	0.1589
Weighted residual factors for all reflections included in the refinement	0.1678
Goodness-of-fit parameter for all reflections included in the refinement	0.9371
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7056723.cif
202539	2017-11-03	cif/ Adding structures of 7056723, 7056724, 7056725 via cif-deposit CGI script.	7056723.cif