Crystallography Open Database

Information card for entry 7133372

Preview

Coordinates	7133372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 N O2
Calculated formula	C38 H38 N O2
Title of publication	A diastereoselective strategy for dihydrophenanthrene-fused spirooxindoles <i>via</i> [1,2]-phospha-Brook rearrangement.
Authors of publication	Ali, Amjad; Harit, Harish K.; Behera, Chandana; Singh, Ravi P.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	67
Pages of publication	8904 - 8907
a	18.2704 ± 0.0006 Å
b	10.4138 ± 0.0004 Å
c	18.749 ± 0.0005 Å
α	90°
β	118.769 ± 0.001°
γ	90°
Cell volume	3126.95 ± 0.18 Å³
Cell temperature	304 ± 2 K
Ambient diffraction temperature	304 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0871
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1408
Weighted residual factors for all reflections included in the refinement	0.1515
Goodness-of-fit parameter for all reflections included in the refinement	0.762
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
294455 (current)	2024-09-06	cif/ Updating files of 7133372 Original log message: Adding full bibliography for 7133372.cif.	7133372.cif
293473	2024-07-20	cif/ Adding structures of 7133372 via cif-deposit CGI script.	7133372.cif