Crystallography Open Database

Information card for entry 1505952

Preview

Coordinates	1505952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H O
Calculated formula	C1.5477 H1.69811 O0.226943
Title of publication	Convenient direct synthesis of bisformylated calix[4]arenes via ipso substitution.
Authors of publication	Chawla, H. M.; Pant, N.; Srivastava, Bindu; Upreti, Shailesh
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	11
Pages of publication	2237 - 2240
a	10.4391 ± 0.0019 Å
b	11.314 ± 0.002 Å
c	17.157 ± 0.003 Å
α	83.844 ± 0.003°
β	85.99 ± 0.003°
γ	63.167 ± 0.003°
Cell volume	1797.2 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
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	0.1049
Residual factor for significantly intense reflections	0.0912
Weighted residual factors for significantly intense reflections	0.2212
Weighted residual factors for all reflections included in the refinement	0.2375
Goodness-of-fit parameter for all reflections included in the refinement	1.244
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1505952.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505952.cif
47876	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505952 via cif-deposit CGI script.	1505952.cif