Crystallography Open Database

Information card for entry 7046246

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Structure parameters

Formula	C44 H56 Ca2 O5
Calculated formula	C44 H56 Ca2 O5
Title of publication	Well-defined styryl and biphenyl calcium complexes from dilithio compounds and calcium iodide: synthesis, structure and reactivity toward nitrous oxide.
Authors of publication	Wei, Baosheng; Zhang, Wen-Xiong; Xi, Zhenfeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	36
Pages of publication	12540 - 12545
a	16.1464 ± 0.0003 Å
b	14.7588 ± 0.0002 Å
c	20.6595 ± 0.0005 Å
α	90°
β	126.19 ± 0.001°
γ	90°
Cell volume	3973.33 ± 0.14 Å³
Cell temperature	179.99 ± 0.1 K
Ambient diffraction temperature	179.99 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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