Crystallography Open Database

Information card for entry 4020136

4020135 << 4020136 >> 4020137

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Coordinates	4020136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.5 H28 Cl N O3
Calculated formula	C29.5 H28 Cl N O3
Authors of publication	Yong-Gui Zhou; Peng-Yu Yang; Xiu-Wen Han
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	1679 - 1683
a	31.545 ± 0.005 Å
b	6.9687 ± 0.001 Å
c	11.2953 ± 0.0017 Å
α	90°
β	94.753 ± 0.003°
γ	90°
Cell volume	2474.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1198
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.1675
Weighted residual factors for all reflections included in the refinement	0.198
Goodness-of-fit parameter for all reflections included in the refinement	0.888
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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