Crystallography Open Database

Information card for entry 4020134

4020133 << 4020134 >> 4020135

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Coordinates	4020134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H33 N O5
Calculated formula	C29 H31.5 N O5
Authors of publication	Kay M. Brummond; Dennis P. Curran; Branko Mitasev; Stefan Fischer
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	1745 - 1753
a	26.465 ± 0.0013 Å
b	9.6298 ± 0.0005 Å
c	21.3983 ± 0.0011 Å
α	90°
β	105.37 ± 0.001°
γ	90°
Cell volume	5258.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1235
Residual factor for significantly intense reflections	0.0718
Weighted residual factors for significantly intense reflections	0.1676
Weighted residual factors for all reflections included in the refinement	0.1877
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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