Crystallography Open Database

Information card for entry 7217199

Preview

Coordinates	7217199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H36 N4 O2
Calculated formula	C26 H36 N4 O2
Title of publication	1D water chain stabilized by meso-expanded calix[4]pyrrole
Authors of publication	Sathish Kumar, B.; Panda, Pradeepta K.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	37
Pages of publication	8669
a	10.054 ± 0.002 Å
b	10.073 ± 0.002 Å
c	12.755 ± 0.003 Å
α	107.386 ± 0.003°
β	97.437 ± 0.003°
γ	96.535 ± 0.002°
Cell volume	1206.4 ± 0.4 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	0.058
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1479
Weighted residual factors for all reflections included in the refinement	0.1517
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7217199.cif
123415	2014-09-08	cif/ Updating files of 7217199, 7217200 Original log message: Adding full bibliography for 7217199--7217200.cif.	7217199.cif
120761	2014-07-25	cif/ Adding structures of 7217199, 7217200 via cif-deposit CGI script.	7217199.cif