Crystallography Open Database

Information card for entry 4308427

Preview

Coordinates	4308427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73.25 H67.88 N8.13 O3.5
Calculated formula	C73.25 H67.875 N8.125 O3.5
Title of publication	Novel Chiral "Calixsalen" Macrocycle and Chiral Robson-type Macrocyclic Complexes
Authors of publication	Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	2
Pages of publication	232 - 241
a	13.7823 ± 0.0009 Å
b	29.0273 ± 0.0019 Å
c	16.107 ± 0.0011 Å
α	90°
β	100.82 ± 0.001°
γ	90°
Cell volume	6329.3 ± 0.7 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1052
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1605
Weighted residual factors for all reflections included in the refinement	0.1974
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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