Crystallography Open Database

Information card for entry 1505580

Preview

Coordinates	1505580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H134 N4 O13
Calculated formula	C80 H134 N4 O13
Title of publication	Chamobtusin A, a novel skeleton diterpenoid alkaloid from Chamaecyparis obtusa cv. tetragon.
Authors of publication	Zhang, Yu-Mei; Tan, Ning-Hua; Lu, Yang; Chang, Ying; Jia, Rui-Rui
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	22
Pages of publication	4579 - 4581
a	23.563 ± 0.001 Å
b	8.728 ± 0.001 Å
c	19.397 ± 0.001 Å
α	90°
β	90.48 ± 0.01°
γ	90°
Cell volume	3989 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1449
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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