Crystallography Open Database

Information card for entry 7062962

Preview

Coordinates	7062962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H36 Co2 N2 O10 Si
Calculated formula	C25 H36 Co2 N2 O10 Si
SMILES	[Co]12([Co]3([C]1([C@@H]([C@H](C(=O)N[C@H](COC(=O)N(OC)C)C(C)C)C)CC)=[C]23[Si](C)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Synthesis of chiral hexynones for use as precursors to native photosynthetic hydroporphyrins
Authors of publication	Chau Nguyen, Khiem; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	5
Pages of publication	2097 - 2117
a	9.0216 ± 0.0003 Å
b	13.8726 ± 0.0005 Å
c	24.6824 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3089.08 ± 0.19 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.0367
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
289580 (current)	2024-02-04	cif/ Updating files of 7062961, 7062962, 7062963 Original log message: Adding full bibliography for 7062961--7062963.cif.	7062962.cif
289044	2024-01-12	cif/ Adding structures of 7062961, 7062962, 7062963 via cif-deposit CGI script.	7062962.cif