Crystallography Open Database

Information card for entry 1542307

Preview

Coordinates	1542307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 N2 O3
Calculated formula	C22 H18 N2 O3
SMILES	c12c(c(c(cc1c1c(n2C(=O)CC)cccc1)C)c1ccccc1)N(=O)=O
Title of publication	The total synthesis of K-252c (staurosporinone) via a sequential C‒H functionalisation strategy
Authors of publication	Fox, J. C.; Gilligan, R. E.; Pitts, A. K.; Bennett, H. R.; Gaunt, M. J.
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	4
Pages of publication	2706
a	23.4378 ± 0.0004 Å
b	11.3628 ± 0.0002 Å
c	14.9029 ± 0.0004 Å
α	90°
β	117.124 ± 0.001°
γ	90°
Cell volume	3532.43 ± 0.13 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0813
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
181579 (current)	2016-04-05	cif/ Updating files of 1542307 Original log message: Adding full bibliography for 1542307.cif.	1542307.cif
174812	2016-01-23	cif/ Adding structures of 1542307 via cif-deposit CGI script.	1542307.cif