Crystallography Open Database

Information card for entry 1562351

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Coordinates	1562351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H56 O10
Calculated formula	C38 H56 O10
Title of publication	Penitol A and Penicitols E-I: Citrinin Derivatives from <i>Penicillium citrinum</i> and the Structure Revision of Previously Proposed Analogues.
Authors of publication	Cheng, Meimei; Li, Pinglin; Jiang, Yun; Tang, Xuli; Zhang, Wenjie; Wang, Qi; Li, Guoqiang
Journal of publication	Journal of natural products
Year of publication	2021
Journal volume	84
Journal issue	4
Pages of publication	1345 - 1352
a	10.3283 ± 0.0004 Å
b	9.4323 ± 0.0004 Å
c	17.9581 ± 0.0008 Å
α	90°
β	90.172 ± 0.002°
γ	90°
Cell volume	1749.46 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 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	0.0599
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1511
Weighted residual factors for all reflections included in the refinement	0.1567
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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