Crystallography Open Database

Information card for entry 2203423

2203422 << 2203423 >> 2203424

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Coordinates	2203423.cif
Original IUCr paper	HTML

Structure parameters

Formula	C22 H20 N2 O3
Calculated formula	C22 H20 N2 O3
SMILES	o1nc(c2ccc(C)cc2)cc1/C=C/C1ON=C(C1)c1ccc(OC)cc1
Title of publication	5-{2-[3-(4-Methoxyphenyl)-4,5-dihydroisoxazol-5-yl]vinyl}-3-<i>p</i>-tolylisoxazole
Authors of publication	Weiming Xu; Xiu-Rong Hu; Jian-Ming Gu; Xian Huang
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	4
Pages of publication	o676 - o677
a	9.9819 ± 0.0002 Å
b	22.3639 ± 0.0004 Å
c	8.415 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1878.52 ± 0.06 Å³
Cell temperature	296 ± 1 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for significantly intense reflections	0.048
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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