Crystallography Open Database

Information card for entry 4020067

4020066 << 4020067 >> 4020068

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Coordinates	4020067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H9 Cl9
Calculated formula	C26 H8 Cl9.0015
Authors of publication	Su-Yuan Xie; Yin Peng; Meng Chen; Rong-Bin Huang; Yuan L. Chow; Lan-Sun Zheng
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	1400 - 1407
a	9.14 ± 0.0018 Å
b	11.024 ± 0.002 Å
c	12.862 ± 0.003 Å
α	66.1 ± 0.03°
β	83.81 ± 0.03°
γ	86.17 ± 0.03°
Cell volume	1177.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1699
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.1425
Weighted residual factors for all reflections included in the refinement	0.1832
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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