Crystallography Open Database

Information card for entry 4020057

4020056 << 4020057 >> 4020058

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Coordinates	4020057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23 N3 O6 S
Calculated formula	C26 H23 N3 O6 S
Authors of publication	Tung Siu; Christine J. Picard; Andrei K. Yudin
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	932 - 937
a	7.9575 ± 0.0001 Å
b	8.8478 ± 0.0001 Å
c	17.3936 ± 0.0003 Å
α	87.621 ± 0.001°
β	79.699 ± 0.001°
γ	73.659 ± 0.001°
Cell volume	1156.16 ± 0.03 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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