Crystallography Open Database

Information card for entry 2202007

2202006 << 2202007 >> 2202008

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Structure parameters

Chemical name	Phyllanthin from the plant phyllanthus amarus
Formula	C24 H34 O6
Calculated formula	C24 H34 O6
SMILES	COC[C@@H]([C@@H](Cc1ccc(c(c1)OC)OC)COC)Cc1ccc(c(c1)OC)OC
Title of publication	Phyllanthin from the plant <i>Phyllanthus amarus</i>
Authors of publication	V. Rajakannan; M. S. Sripathi; S. Selvanayagam; D. Velmurugan; Uma. D. Murthy; M. Vishwas; S. P. Thyagarajan; S. Shanmuga Sundara Raj; Hoong-Kun Fun
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	2
Pages of publication	o203 - o205
a	22.6091 ± 0.0007 Å
b	5.3506 ± 0.0002 Å
c	11.0871 ± 0.0004 Å
α	90°
β	117.328 ± 0.001°
γ	90°
Cell volume	1191.54 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.171
Weighted residual factors for all reflections included in the refinement	0.1814
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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