Crystallography Open Database

Information card for entry 7224457

Preview

Coordinates	7224457.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44.82 H53.64 O9.41
Calculated formula	C44.82 H53.64 O9.414
Title of publication	Shaping of calix[4]arenes via double bridging of the upper rim
Authors of publication	Slavík, Petr; Eigner, Václav; Lhoták, Pavel
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	26
Pages of publication	4964
a	29.0803 ± 0.001 Å
b	9.4848 ± 0.0003 Å
c	15.2528 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4207 ± 0.2 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Ambient diffracton pressure	101 kPa
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for all reflections	0.1246
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.0377
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185198 (current)	2016-08-07	cif/ Updating files of 7224456, 7224457, 7224458, 7224459 Original log message: Adding full bibliography for 7224456--7224459.cif.	7224457.cif
177110	2016-03-02	cif/ Adding structures of 7224456, 7224457, 7224458, 7224459 via cif-deposit CGI script.	7224457.cif