Crystallography Open Database

Information card for entry 7024275

Preview

Coordinates	7024275.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	9Py
Formula	C77 H85 N4 O12
Calculated formula	C77 H85 N4 O12
Title of publication	Versatile assembly of p-carboxylatocalix[4]arene-O-alkyl ethers.
Authors of publication	Kennedy, Stuart; Teat, Simon J.; Dalgarno, Scott J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	2
Pages of publication	384 - 387
a	12.236 ± 0.002 Å
b	13.141 ± 0.003 Å
c	22.319 ± 0.005 Å
α	92.18 ± 0.03°
β	100.82 ± 0.03°
γ	99.6 ± 0.03°
Cell volume	3466.7 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.149
Weighted residual factors for all reflections included in the refinement	0.1718
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179947 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/42.	7024275.cif
92337	2014-01-12	cif/ Adding structures of 7024272, 7024273, 7024274, 7024275 via cif-deposit CGI script.	7024275.cif