Crystallography Open Database

Information card for entry 4519104

4519103 << 4519104 >> 4519105

Preview

Coordinates	4519104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 O4
Calculated formula	C19 H20 O4
Title of publication	Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst.
Authors of publication	Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit
Journal of publication	ACS omega
Year of publication	2021
Journal volume	6
Journal issue	41
Pages of publication	27279 - 27287
a	7.7137 ± 0.0005 Å
b	9.9031 ± 0.0011 Å
c	10.9047 ± 0.0011 Å
α	92.5 ± 0.008°
β	94.608 ± 0.007°
γ	103.797 ± 0.007°
Cell volume	804.66 ± 0.13 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1416
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.1835
Weighted residual factors for all reflections included in the refinement	0.2458
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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