Crystallography Open Database

Information card for entry 7708488

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Coordinates	7708488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C236.9 H277.6 O20 Pb12
Calculated formula	C236.9 H277.6 O20 Pb12
Title of publication	Lead calix[n]arenes (n=4, 6, 8): Structures and ring opening homo-/co-polymerization capability for cyclic esters
Authors of publication	Xing, Tian; Prior, Timothy J.; Redshaw, Carl
Journal of publication	Dalton Transactions
Year of publication	2021
a	17.5373 ± 0.0003 Å
b	17.9311 ± 0.0004 Å
c	21.0467 ± 0.0004 Å
α	67.965 ± 0.002°
β	86.038 ± 0.001°
γ	64.379 ± 0.002°
Cell volume	5497.3 ± 0.2 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	0.0574
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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