Crystallography Open Database

Information card for entry 2204585

2204584 << 2204585 >> 2204586

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Original IUCr paper	HTML

Structure parameters

Common name	7-Oxogedunin
Chemical name	1-(3-furyl)-4b,7,7,10a,12a-pentamethyl-1,6a,7,10a,10b,11,12,12a- octahydronaphtho[2,1-f]oxireno[2,3-d]isochromene-3,5,8(3aH,4bH,6H)-trione
Formula	C26 H30 O6
Calculated formula	C26 H30 O6
SMILES	O=C1C=C[C@]2([C@H](C1(C)C)CC(=O)[C@@]1([C@@H]2CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1ccoc1)C)C)C
Title of publication	7-Oxogedunin
Authors of publication	Watcharee Waratchareeyakul; Suchada Chantrapromma; Hoong-Kun Fun; Ibrahim Abdul Razak; Chatchanok Karalai; Chanita Ponglimanont
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	11
Pages of publication	o1964 - o1966
a	7.6623 ± 0.0012 Å
b	11.1298 ± 0.0018 Å
c	13.35 ± 0.002 Å
α	90°
β	100.547 ± 0.003°
γ	90°
Cell volume	1119.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0551
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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