Crystallography Open Database

Information card for entry 1507866

Preview

Coordinates	1507866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 O9
Calculated formula	C17 H22 O9
SMILES	O[C@H]1[C@@]23O[C@H]4OC[C@@H]5[C@]([C@@H]3[C@H]4OCOC)(C[C@@H](OC5=O)[C@@]2(OC1=O)C)C.O[C@@H]1[C@]23O[C@@H]4OC[C@H]5[C@@]([C@H]3[C@@H]4OCOC)(C[C@H](OC5=O)[C@]2(OC1=O)C)C
Title of publication	Kinetically controlled one-pot formation of DEFGH-rings of type B physalins through domino-type transformations.
Authors of publication	Morita, Masaki; Hirai, Go; Ohkubo, Megumi; Koshino, Hiroyuki; Hashizume, Daisuke; Maruoka, Keiji; Sodeoka, Mikiko
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	13
Pages of publication	3434 - 3437
a	12.793 ± 0.0002 Å
b	9.40847 ± 0.00017 Å
c	14.6746 ± 0.0003 Å
α	90°
β	113.349 ± 0.0007°
γ	90°
Cell volume	1621.63 ± 0.05 Å³
Cell temperature	140 K
Ambient diffraction temperature	140 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.