Crystallography Open Database

Information card for entry 1515755

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Structure parameters

Formula	C23 H29 B N O2 P
Calculated formula	C23 H29 B N O2 P
SMILES	[P@@]([BH3])(N([C@@H]([C@@H](O)c1ccccc1)C)C)(c1ccccc1)c1ccccc1CO
Title of publication	Efficient Asymmetric Syntheses of 1-Phenyl-phosphindane, Derivatives, and 2- or 3-Oxa Analogues: Mission Accomplished.
Authors of publication	Rast, Slavko; Mohar, Barbara; Stephan, Michel
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	10
Pages of publication	2688 - 2691
a	9.164 ± 0.0016 Å
b	14.0102 ± 0.0017 Å
c	9.5202 ± 0.0018 Å
α	90°
β	117.23 ± 0.02°
γ	90°
Cell volume	1086.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0745
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1426
Weighted residual factors for all reflections included in the refinement	0.1584
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1515755.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515755.cif
115909	2014-06-05	cif/ Updating files of 1515755, 1515756 Original log message: Adding full bibliography for 1515755--1515756.cif.	1515755.cif
112046	2014-04-29	cif/ Adding structures of 1515755, 1515756 via cif-deposit CGI script.	1515755.cif