Crystallography Open Database

Information card for entry 2103820

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Structure parameters

Formula	C19 H20 Cl N O3
Calculated formula	C19 H20 Cl N O3
SMILES	Clc1ccc(cc1)/C=C/C(=O)NCCc1cc(OC)c(OC)cc1
Title of publication	Single-crystal-to-single-crystal photodimerization of 4-chlorocinnamoyl-<i>O</i>,<i>O</i>'-dimethyldopamine
Authors of publication	Ohba, Shigeru; Ito, Yoshikatsu
Journal of publication	Acta Crystallographica Section B
Year of publication	2003
Journal volume	59
Journal issue	1
Pages of publication	149 - 155
a	21.499 ± 0.004 Å
b	5.0032 ± 0.0014 Å
c	33.542 ± 0.005 Å
α	90°
β	91.518 ± 0.013°
γ	90°
Cell volume	3606.6 ± 1.3 Å³
Cell temperature	298 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.2768
Goodness-of-fit parameter for all reflections included in the refinement	2.032
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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