Crystallography Open Database

Information card for entry 4114988

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Coordinates	4114988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 O4
Calculated formula	C22 H22 O4
Title of publication	Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions
Authors of publication	Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	8891 - 8902
a	5.4658 ± 0.0005 Å
b	7.6205 ± 0.0004 Å
c	11.7151 ± 0.0007 Å
α	103.828 ± 0.006°
β	91.99 ± 0.003°
γ	101.947 ± 0.004°
Cell volume	461.73 ± 0.06 Å³
Cell temperature	296.1 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 significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	1.517
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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