Crystallography Open Database

Information card for entry 4321464

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Coordinates	4321464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H71 O6 P
Calculated formula	C53 H71 O6 P
Title of publication	Main-Group-Element Calix[4]arenes: Variable Coordination and Conformational Isomerism at Phosphorus and Silicon
Authors of publication	Maomian Fan; Igor V. Shevchenko; R. Harmony Voorhies; Scott F. Eckert; Hongming Zhang; Michael Lattman
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	4704 - 4712
a	44.267 ± 0.004 Å
b	44.267 ± 0.004 Å
c	13.311 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	22589 ± 3 Å³
Cell temperature	228 ± 2 K
Ambient diffraction temperature	228 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1582
Residual factor for significantly intense reflections	0.1012
Weighted residual factors for all reflections	0.3669
Weighted residual factors for significantly intense reflections	0.2562
Goodness-of-fit parameter for all reflections	1.03
Goodness-of-fit parameter for significantly intense reflections	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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