Crystallography Open Database

Information card for entry 7115340

Preview

Coordinates	7115340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 O3
Calculated formula	C23 H18 O3
SMILES	O1c2ccccc2C=C2c3ccccc3COC12c1ccc(OC)cc1
Title of publication	A copper(II) perchlorate-promoted tandem reaction of internal alkynol and salicyl N-tosylhydrazone: direct access to isochromeno[3,4-b]chromene
Authors of publication	Hai Xiao Siyang; Xu Rui Wu; Xiao Yue Ji; Xin Yan Wu; Pei Nian Liu
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	8514
a	25.754 ± 0.002 Å
b	6.0366 ± 0.0005 Å
c	23.164 ± 0.002 Å
α	90°
β	106.637 ± 0.002°
γ	90°
Cell volume	3450.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.1589
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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