Crystallography Open Database

Information card for entry 4022846

Preview

Structure parameters

Formula	C30 H31 N O7
Calculated formula	C30 H31 N O7
SMILES	N1(C(=O)C(c2ccccc12)(C(=O)OCC)c1c(cccc1)OCc1ccc(cc1)OC)C(=O)OC(C)(C)C
Title of publication	Oxidative Rearrangement of Indoles: A New Approach to the EFHG-Tetracyclic Core of Diazonamide A
Authors of publication	Cyril Poriel; Mathilde Lachia; Claire Wilson; James R. Davies; Christopher J. Moody
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	2978 - 2987
a	11.2623 ± 0.0007 Å
b	18.3286 ± 0.0012 Å
c	25.5214 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	5268.2 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4022846.html