Crystallography Open Database

Information card for entry 2207933

2207932 << 2207933 >> 2207934

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Structure parameters

Chemical name	4-Cyano-3-fluorophenyl (2E)-3-(4-heptyloxy-3-methoxyphenyl)acrylate
Formula	C24 H26 F N O4
Calculated formula	C24 H26 F N O4
SMILES	CCCCCCCOc1ccc(cc1OC)/C=C/C(=O)Oc1ccc(c(c1)F)C#N
Title of publication	4-Cyano-3-fluorophenyl (2<i>E</i>)-3-(4-heptyloxy-3-methoxyphenyl)acrylate
Authors of publication	Ren, Rui; Zhang, Shu-Sheng; Li, Qiang; Li, Xue-Mei; Song, Xiu-Yan
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	1
Pages of publication	o160 - o161
a	7.763 ± 0.004 Å
b	11.207 ± 0.005 Å
c	13.631 ± 0.007 Å
α	82.499 ± 0.008°
β	82.269 ± 0.008°
γ	75.662 ± 0.008°
Cell volume	1132.7 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.1598
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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