Crystallography Open Database

Information card for entry 4021204

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Structure parameters

Formula	C20 H16 O3
Calculated formula	C20 H16 O3
SMILES	o1c2ccccc2cc(c1=O)C#Cc1ccc(OC(C)C)cc1
Title of publication	Synthesis and Electrogenerated Chemiluminescence of Donor-Substituted Phenylethynylcoumarins
Authors of publication	Arumugasamy Elangovan; Jui-Hsien Lin; Shu-Wen Yang; Hsien-Yi Hsu; Tong-Ing Ho
Journal of publication	Journal of Organic Chemistry
Year of publication	2004
Journal volume	69
Pages of publication	8086 - 8092
a	34.068 ± 0.0004 Å
b	5.908 ± 0.0002 Å
c	17.56 ± 0.0007 Å
α	90°
β	115.704 ± 0.002°
γ	90°
Cell volume	3184.6 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
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	0.0582
Weighted residual factors for significantly intense reflections	0.1354
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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