Crystallography Open Database

Information card for entry 1547204

Preview

Coordinates	1547204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H35 O4
Calculated formula	C20 H35 O4
SMILES	O[C@@H]1C[C@]2([C@H](C[C@H]1O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@]2(O)C)C)C.O
Title of publication	Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone
Authors of publication	Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary
Journal of publication	Chemistry Central Journal
Year of publication	2012
Journal volume	6
Pages of publication	153
a	11.5169 ± 0.0019 Å
b	6.7843 ± 0.0012 Å
c	12.82 ± 0.002 Å
α	90°
β	109.27 ± 0.004°
γ	90°
Cell volume	945.6 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0791
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.0808
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	0.873
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
200969 (current)	2017-09-18	cif/ Adding structures of 1547204 via cif-deposit CGI script.	1547204.cif