Crystallography Open Database

Information card for entry 4020080

4020079 << 4020080 >> 4020081

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Coordinates	4020080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67.5 H77.25 N1.75 O12
Calculated formula	C67.5 H77.25 N1.75 O12
Authors of publication	Anh Huu Tran; David O. Miller; Paris E. Georghiou
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	1115 - 1121
a	17.2682 ± 0.0007 Å
b	14.3146 ± 0.0005 Å
c	25.106 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	6205.9 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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