Crystallography Open Database

Information card for entry 4033293

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Coordinates	4033293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 N O5
Calculated formula	C19 H19 N O5
SMILES	O[C@H](C(O)(C)C)[C@H]1OC(=O)c2c1c(OC)c1[nH]c3c(c1c2)cccc3
Title of publication	Solid State Auto Inversion of C-Centrochirality: Enantioselective Total Synthesis of Furocarbazolones (-)-epi-Claulansine D and (-)-Claulansine D and, Pyranocarbazolone (+)-epi-Claulansine C.
Authors of publication	Markad, Shivaji B.; Argade, Narshinha P.
Journal of publication	The Journal of organic chemistry
Year of publication	2017
a	5.04 ± 0.004 Å
b	15.346 ± 0.012 Å
c	20.856 ± 0.016 Å
α	90°
β	90°
γ	90°
Cell volume	1613 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.3228
Residual factor for significantly intense reflections	0.1026
Weighted residual factors for significantly intense reflections	0.1577
Weighted residual factors for all reflections included in the refinement	0.2271
Goodness-of-fit parameter for all reflections included in the refinement	0.932
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
204496 (current)	2017-12-23	cif/ Adding structures of 4033293 via cif-deposit CGI script.	4033293.cif