Crystallography Open Database

Information card for entry 4133334

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Structure parameters

Formula	C26 H43 N O3 Si
Calculated formula	C26 H43 N O3 Si
SMILES	[Si](O[C@@]12C[C@H]3[C@]4(C[C@@]1(C[C@@H]34)CC(=O)[C@@H]1[C@@]2(C)CCC[C@]1(C(=O)N)C)C)(CC)(CC)CC
Title of publication	Total Synthesis of (-)-Mitrephorone A.
Authors of publication	Richter, Matthieu J. R.; Schneider, Michael; Brandstätter, Marco; Krautwald, Simon; Carreira, Erick M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	48
Pages of publication	16704 - 16710
a	7.75079 ± 0.00004 Å
b	17.50986 ± 0.00009 Å
c	18.79506 ± 0.00009 Å
α	90°
β	90°
γ	90°
Cell volume	2550.78 ± 0.02 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301835 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure.	4133334.cif
243155	2019-11-26	cif/ Adding structures of 4133334 via cif-deposit CGI script.	4133334.cif