Crystallography Open Database

Information card for entry 1511928

1511927 << 1511928 >> 1511929

Preview

Coordinates	1511928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H46 N2 O15
Calculated formula	C41 H46 N2 O15
Title of publication	Establishment of Benzodioxazine Core Structure for Sarcodonin Class of Natural Products by X-ray Analysis
Authors of publication	Masubuti, Hironori; Endo, Yasuhisa; Araya, Hiroshi; Uekusa, Hidehiro; Fujimoto, Yoshinori
Journal of publication	Organic Letters
Year of publication	2013
Journal volume	15
Journal issue	9
Pages of publication	2076
a	10.5602 ± 0.0005 Å
b	10.4546 ± 0.0004 Å
c	37.7085 ± 0.0015 Å
α	90°
β	95.612 ± 0.002°
γ	90°
Cell volume	4143.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Ambient diffracton pressure	101.3 kPa
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1734
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.2199
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1511928.cif
85817	2013-05-07	cif/ Adding structures of 1511928 via cif-deposit CGI script.	1511928.cif