Crystallography Open Database

Information card for entry 4020100

4020099 << 4020100 >> 4020101

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Coordinates	4020100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 N6 O S
Calculated formula	C30 H26 N6 O S
Authors of publication	Hidehiro Sakurai; Mendra T. S. Ritonga; Harumi Shibatani; Toshikazu Hirao
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	2754 - 2762
a	21.3129 ± 0.0003 Å
b	31.6796 ± 0.0005 Å
c	7.7621 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	5240.8 ± 0.1 Å³
Cell temperature	296.2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for all reflections included in the refinement	0.1804
Goodness-of-fit parameter for all reflections included in the refinement	0.78
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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