Crystallography Open Database

Information card for entry 7105589

Preview

Coordinates	7105589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.8 H32.8 Cl5.4 N4
Calculated formula	C49.8 H33.8 Cl5.4 N4
Title of publication	Remarkable rate acceleration of [4 + 2] cyclodimerization of an ethynylanthracene derivative on the product crystal surfaces.
Authors of publication	Yuasa, Junpei; Ogawa, Takuya; Kawai, Tsuyoshi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	21
Pages of publication	3693 - 3695
a	10.4789 ± 0.0006 Å
b	15.0708 ± 0.001 Å
c	15.5337 ± 0.001 Å
α	70.0738 ± 0.0017°
β	76.6424 ± 0.0017°
γ	69.9763 ± 0.0016°
Cell volume	2148.7 ± 0.2 Å³
Cell temperature	193.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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